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Aminobenzoic acids and derivatives

Organic compounds that consist of a benzene ring substituted with amino and carboxyl groups. Includes compounds that are derived from aminobenzoic acids.
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1

4-Aminobenzoic acid sodium salt, 98%

CAS: 555-06-6 Formule moléculaire: C7H6NNaO2 Poids moléculaire (g/mol): 159.12 Numéro MDL: MFCD00064395 Clé InChI: XETSAYZRDCRPJY-UHFFFAOYSA-M Synonyme: sodium 4-aminobenzoate,sodium p-aminobenzoate,4-aminobenzoic acid sodium salt,sodium aminobenzoate,aminobenzoate sodium,antergyl,pabavit,benzoic acid, 4-amino-, monosodium salt,monosodium 4-aminobenzoate,unii-75ui7quz5j CID PubChem: 517441 Nom IUPAC: sodium;4-aminobenzoate SMILES: C1=CC(=CC=C1C(=O)[O-])N.[Na+]

Poids moléculaire (g/mol) 159.12
Synonyme sodium 4-aminobenzoate,sodium p-aminobenzoate,4-aminobenzoic acid sodium salt,sodium aminobenzoate,aminobenzoate sodium,antergyl,pabavit,benzoic acid, 4-amino-, monosodium salt,monosodium 4-aminobenzoate,unii-75ui7quz5j
Numéro MDL MFCD00064395
CAS 555-06-6
CID PubChem 517441
Nom IUPAC sodium;4-aminobenzoate
Clé InChI XETSAYZRDCRPJY-UHFFFAOYSA-M
SMILES C1=CC(=CC=C1C(=O)[O-])N.[Na+]
Formule moléculaire C7H6NNaO2
2

2-Amino-5-methylbenzoic acid, 97%

CAS: 2941-78-8 Formule moléculaire: C8H9NO2 Poids moléculaire (g/mol): 151.17 Numéro MDL: MFCD00007909 Clé InChI: NBUUUJWWOARGNW-UHFFFAOYSA-N Synonyme: 5-methylanthranilic acid,6-amino-m-toluic acid,2-amino-5-methyl-benzoic acid,benzoic acid, 2-amino-5-methyl,m-toluic acid, 6-amino,2-amino-5-methylbenzoicacid,unii-418xaj22v2,2-amino-5-methyl benzoic acid,amino 2--5-methylbenzoic acid,pubchem4954 CID PubChem: 76255 Nom IUPAC: 2-amino-5-methylbenzoic acid SMILES: CC1=CC=C(N)C(=C1)C(O)=O

Poids moléculaire (g/mol) 151.17
Synonyme 5-methylanthranilic acid,6-amino-m-toluic acid,2-amino-5-methyl-benzoic acid,benzoic acid, 2-amino-5-methyl,m-toluic acid, 6-amino,2-amino-5-methylbenzoicacid,unii-418xaj22v2,2-amino-5-methyl benzoic acid,amino 2--5-methylbenzoic acid,pubchem4954
Numéro MDL MFCD00007909
CAS 2941-78-8
CID PubChem 76255
Nom IUPAC 2-amino-5-methylbenzoic acid
Clé InChI NBUUUJWWOARGNW-UHFFFAOYSA-N
SMILES CC1=CC=C(N)C(=C1)C(O)=O
Formule moléculaire C8H9NO2
3

2-Amino-6-methoxybenzoic acid, 97%

CAS: 53600-33-2 Formule moléculaire: C8H9NO3 Poids moléculaire (g/mol): 167.164 Numéro MDL: MFCD01941328 Clé InChI: DYZDIWNRWSNVPT-UHFFFAOYSA-N Synonyme: 6-methoxyanthranilic acid,6-amino-o-anisic acid,2-amino-6-methoxy-benzoic acid,2-amino-6-methoxybenzoicacid,benzoic acid, 2-amino-6-methoxy,6-methoxy anthranilic acid,pubchem4706,3-amino-2-carboxyanisole,6-methoxy-anthranilic acid,2-carboxy-3-methoxyaniline CID PubChem: 2735357 Nom IUPAC: 2-amino-6-methoxybenzoic acid SMILES: COC1=CC=CC(=C1C(=O)O)N

Poids moléculaire (g/mol) 167.164
Synonyme 6-methoxyanthranilic acid,6-amino-o-anisic acid,2-amino-6-methoxy-benzoic acid,2-amino-6-methoxybenzoicacid,benzoic acid, 2-amino-6-methoxy,6-methoxy anthranilic acid,pubchem4706,3-amino-2-carboxyanisole,6-methoxy-anthranilic acid,2-carboxy-3-methoxyaniline
Numéro MDL MFCD01941328
CAS 53600-33-2
CID PubChem 2735357
Nom IUPAC 2-amino-6-methoxybenzoic acid
Clé InChI DYZDIWNRWSNVPT-UHFFFAOYSA-N
SMILES COC1=CC=CC(=C1C(=O)O)N
Formule moléculaire C8H9NO3
4

4-Amino-2,3,5,6-tetrafluorobenzoic acid, 97%

CAS: 944-43-4 Formule moléculaire: C7H3F4NO2 Poids moléculaire (g/mol): 209.1 Numéro MDL: MFCD00007647 Clé InChI: WTNSXWSOTDBWOR-UHFFFAOYSA-N Synonyme: 2,3,5,6-tetrafluoro-4-aminobenzoic acid,acmc-209rrw,4-amino-2,3,5,6-tetrafluorobenzoicacid,2,3,5,6-tetrafluoro-4-amino-benzoic acid,4-amino-2,3,5,6-tetrafluoro-benzoic acid,benzoic acid,4-amino-2,3,5,6-tetrafluoro,benzoic acid, 4-amino-2,3,5,6-tetrafluoro,4-amino-2,3,5,6-tetrafluorobenzoic acid CID PubChem: 70345 Nom IUPAC: 4-amino-2,3,5,6-tetrafluorobenzoic acid SMILES: C1(=C(C(=C(C(=C1F)F)N)F)F)C(=O)O

Poids moléculaire (g/mol) 209.1
Synonyme 2,3,5,6-tetrafluoro-4-aminobenzoic acid,acmc-209rrw,4-amino-2,3,5,6-tetrafluorobenzoicacid,2,3,5,6-tetrafluoro-4-amino-benzoic acid,4-amino-2,3,5,6-tetrafluoro-benzoic acid,benzoic acid,4-amino-2,3,5,6-tetrafluoro,benzoic acid, 4-amino-2,3,5,6-tetrafluoro,4-amino-2,3,5,6-tetrafluorobenzoic acid
Numéro MDL MFCD00007647
CAS 944-43-4
CID PubChem 70345
Nom IUPAC 4-amino-2,3,5,6-tetrafluorobenzoic acid
Clé InChI WTNSXWSOTDBWOR-UHFFFAOYSA-N
SMILES C1(=C(C(=C(C(=C1F)F)N)F)F)C(=O)O
Formule moléculaire C7H3F4NO2
5

2-Amino-5-fluorobenzoic acid, 97%

CAS: 446-08-2 Formule moléculaire: C7H6FNO2 Poids moléculaire (g/mol): 155.128 Numéro MDL: MFCD00055566 Clé InChI: FPQMGQZTBWIHDN-UHFFFAOYSA-N Synonyme: 5-fluoroanthranilic acid,2-amino-5-fluoro-benzoic acid,benzoic acid, 2-amino-5-fluoro,5-faa,5-fluoro-2-aminobenzoic acid,4own,5rg,pubchem1322,5-fluoroanthanilic acid,acmc-209jyo CID PubChem: 101412 ChEBI: CHEBI:78042 Nom IUPAC: 2-amino-5-fluorobenzoic acid SMILES: C1=CC(=C(C=C1F)C(=O)O)N

Poids moléculaire (g/mol) 155.128
Synonyme 5-fluoroanthranilic acid,2-amino-5-fluoro-benzoic acid,benzoic acid, 2-amino-5-fluoro,5-faa,5-fluoro-2-aminobenzoic acid,4own,5rg,pubchem1322,5-fluoroanthanilic acid,acmc-209jyo
Numéro MDL MFCD00055566
CAS 446-08-2
CID PubChem 101412
ChEBI CHEBI:78042
Nom IUPAC 2-amino-5-fluorobenzoic acid
Clé InChI FPQMGQZTBWIHDN-UHFFFAOYSA-N
SMILES C1=CC(=C(C=C1F)C(=O)O)N
Formule moléculaire C7H6FNO2
6

2-(4-Methylpiperazin-1-yl)benzoic acid, ≥97%, Thermo Scientific™

CAS: 159589-70-5 Formule moléculaire: C12H16N2O2 Poids moléculaire (g/mol): 220.27 Numéro MDL: MFCD01788118 Clé InChI: WKGFDTBUUBBWJZ-UHFFFAOYSA-N Synonyme: 2-4-methylpiperazin-1-yl benzoic acid,2-4-methyl-piperazin-1-yl-benzoic acid,2-4-methyl-1-piperazinyl benzoic acid,1-2-carboxyphenyl-4-methylpiperazine,2-4-methylpiperazinyl benzoic acid,4-methyl-piperazin-1-yl-benzoic acid,2-4-methylpiperazin-1-yl benzoicacid,benzoic acid,2-4-methyl-1-piperazinyl,benzoic acid, 2-4-methyl-1-piperazinyl CID PubChem: 1120459 Nom IUPAC: 2-(4-methylpiperazin-1-yl)benzoic acid SMILES: CN1CCN(CC1)C1=CC=CC=C1C(O)=O

Poids moléculaire (g/mol) 220.27
Synonyme 2-4-methylpiperazin-1-yl benzoic acid,2-4-methyl-piperazin-1-yl-benzoic acid,2-4-methyl-1-piperazinyl benzoic acid,1-2-carboxyphenyl-4-methylpiperazine,2-4-methylpiperazinyl benzoic acid,4-methyl-piperazin-1-yl-benzoic acid,2-4-methylpiperazin-1-yl benzoicacid,benzoic acid,2-4-methyl-1-piperazinyl,benzoic acid, 2-4-methyl-1-piperazinyl
Numéro MDL MFCD01788118
CAS 159589-70-5
CID PubChem 1120459
Nom IUPAC 2-(4-methylpiperazin-1-yl)benzoic acid
Clé InChI WKGFDTBUUBBWJZ-UHFFFAOYSA-N
SMILES CN1CCN(CC1)C1=CC=CC=C1C(O)=O
Formule moléculaire C12H16N2O2
7

4-(Methylamino)benzoic acid, 97%

CAS: 10541-83-0 Formule moléculaire: C8H9NO2 Poids moléculaire (g/mol): 151.165 Numéro MDL: MFCD00002535 Clé InChI: ZVIDMSBTYRSMAR-UHFFFAOYSA-N Synonyme: 4-methylamino benzoic acid,benzoic acid, 4-methylamino,p-methylaminobenzoic acid,n-methyl-4-aminobenzoic acid,4-n-methylamino benzoic acid,n-methyl-4-aminobenzoate,benzoic acid, p-methylamino,4-methylamino-benzoic acid,p-methylamino benzoic acid,p-n-methylamino benzoic acid CID PubChem: 66345 ChEBI: CHEBI:7308 Nom IUPAC: 4-(methylamino)benzoic acid SMILES: CNC1=CC=C(C=C1)C(=O)O

Poids moléculaire (g/mol) 151.165
Synonyme 4-methylamino benzoic acid,benzoic acid, 4-methylamino,p-methylaminobenzoic acid,n-methyl-4-aminobenzoic acid,4-n-methylamino benzoic acid,n-methyl-4-aminobenzoate,benzoic acid, p-methylamino,4-methylamino-benzoic acid,p-methylamino benzoic acid,p-n-methylamino benzoic acid
Numéro MDL MFCD00002535
CAS 10541-83-0
CID PubChem 66345
ChEBI CHEBI:7308
Nom IUPAC 4-(methylamino)benzoic acid
Clé InChI ZVIDMSBTYRSMAR-UHFFFAOYSA-N
SMILES CNC1=CC=C(C=C1)C(=O)O
Formule moléculaire C8H9NO2
8

2-Amino-6-fluorobenzoic acid, 98%

CAS: 434-76-4 Formule moléculaire: C7H5FNO2 Poids moléculaire (g/mol): 154.12 Numéro MDL: MFCD00067781 Clé InChI: RWSFZKWMVWPDGZ-UHFFFAOYSA-M Synonyme: 6-fluoroanthranilic acid,anthralic acid, 6-fluoro,benzoic acid, 2-amino-6-fluoro,6-amino-2-fluorobenzoic acid,2-amino-6-fluoro-benzoic acid,2,amino-6-fluorobenzoic acid,4owo,pubchem1324,6-fluoroanthanilic acid,acmc-209jun CID PubChem: 521142 SMILES: NC1=CC=CC(F)=C1C([O-])=O

Poids moléculaire (g/mol) 154.12
Synonyme 6-fluoroanthranilic acid,anthralic acid, 6-fluoro,benzoic acid, 2-amino-6-fluoro,6-amino-2-fluorobenzoic acid,2-amino-6-fluoro-benzoic acid,2,amino-6-fluorobenzoic acid,4owo,pubchem1324,6-fluoroanthanilic acid,acmc-209jun
Numéro MDL MFCD00067781
CAS 434-76-4
CID PubChem 521142
Clé InChI RWSFZKWMVWPDGZ-UHFFFAOYSA-M
SMILES NC1=CC=CC(F)=C1C([O-])=O
Formule moléculaire C7H5FNO2
9

3-Amino-5-(trifluoromethyl)benzoic acid, 97%

CAS: 328-68-7 Formule moléculaire: C8H6F3NO2 Poids moléculaire (g/mol): 205.14 Numéro MDL: MFCD00236641 Clé InChI: WBTHOSZMTIPJLR-UHFFFAOYSA-N Synonyme: 3-amino-5-trifluoromethyl benzoic acid,3-amino-5-trifluoromethyl benzoicacid,5-amino-3-trifluoromethyl benzoic acid,benzoic acid, 3-amino-5-trifluoromethyl,pubchem1359,acmc-209xwk,ksc495q1r,3-amino-5-carboxybenzotrifluoride,buttpark 25\01-23,3-carboxy-5-trifluoromethyl aniline CID PubChem: 609556 Nom IUPAC: 3-amino-5-(trifluoromethyl)benzoic acid SMILES: NC1=CC(=CC(=C1)C(F)(F)F)C(O)=O

Poids moléculaire (g/mol) 205.14
Synonyme 3-amino-5-trifluoromethyl benzoic acid,3-amino-5-trifluoromethyl benzoicacid,5-amino-3-trifluoromethyl benzoic acid,benzoic acid, 3-amino-5-trifluoromethyl,pubchem1359,acmc-209xwk,ksc495q1r,3-amino-5-carboxybenzotrifluoride,buttpark 25\01-23,3-carboxy-5-trifluoromethyl aniline
Numéro MDL MFCD00236641
CAS 328-68-7
CID PubChem 609556
Nom IUPAC 3-amino-5-(trifluoromethyl)benzoic acid
Clé InChI WBTHOSZMTIPJLR-UHFFFAOYSA-N
SMILES NC1=CC(=CC(=C1)C(F)(F)F)C(O)=O
Formule moléculaire C8H6F3NO2
10

2-Amino-4-chlorobenzoic acid, 98%

CAS: 89-77-0 Formule moléculaire: C7H6ClNO2 Poids moléculaire (g/mol): 171.58 Numéro MDL: MFCD00007778 Clé InChI: JYYLQSCZISREGY-UHFFFAOYSA-N Synonyme: 4-chloroanthranilic acid,benzoic acid, 2-amino-4-chloro,4-chloro-2-aminobenzoic acid,anthranilic acid, 4-chloro,4-chloroanthranil acid,4-chloro anthranilic acid,2-carboxy-5-chloroaniline,unii-g55k85r12h,2-amino-4-chloro-benzoic acid,2,4-acba CID PubChem: 66646 Nom IUPAC: 2-amino-4-chlorobenzoic acid SMILES: NC1=CC(Cl)=CC=C1C(O)=O

Poids moléculaire (g/mol) 171.58
Synonyme 4-chloroanthranilic acid,benzoic acid, 2-amino-4-chloro,4-chloro-2-aminobenzoic acid,anthranilic acid, 4-chloro,4-chloroanthranil acid,4-chloro anthranilic acid,2-carboxy-5-chloroaniline,unii-g55k85r12h,2-amino-4-chloro-benzoic acid,2,4-acba
Numéro MDL MFCD00007778
CAS 89-77-0
CID PubChem 66646
Nom IUPAC 2-amino-4-chlorobenzoic acid
Clé InChI JYYLQSCZISREGY-UHFFFAOYSA-N
SMILES NC1=CC(Cl)=CC=C1C(O)=O
Formule moléculaire C7H6ClNO2
11

4-Amino-2-fluorobenzoic acid, 98%, Thermo Scientific Chemicals

CAS: 446-31-1 Formule moléculaire: C7H6FNO2 Poids moléculaire (g/mol): 155.128 Numéro MDL: MFCD01569397 Clé InChI: QHERSCUZBKDVOC-UHFFFAOYSA-N Synonyme: 2-fluoro-4-aminobenzoic acid,4-amino-2-fluorobenzoicacid,4-amino-2-fluorobenzenecarboxylic acid,4-amino-2-fluoro-benzoic acid,4-carboxy-3-fluoroaniline,benzoic acid, 4-amino-2-fluoro,pubchem4693,acmc-209jz6,ksc237k0f,4-amino-2-fluoro benzoic acid CID PubChem: 302680 Nom IUPAC: 4-amino-2-fluorobenzoic acid SMILES: C1=CC(=C(C=C1N)F)C(=O)O

Poids moléculaire (g/mol) 155.128
Synonyme 2-fluoro-4-aminobenzoic acid,4-amino-2-fluorobenzoicacid,4-amino-2-fluorobenzenecarboxylic acid,4-amino-2-fluoro-benzoic acid,4-carboxy-3-fluoroaniline,benzoic acid, 4-amino-2-fluoro,pubchem4693,acmc-209jz6,ksc237k0f,4-amino-2-fluoro benzoic acid
Numéro MDL MFCD01569397
CAS 446-31-1
CID PubChem 302680
Nom IUPAC 4-amino-2-fluorobenzoic acid
Clé InChI QHERSCUZBKDVOC-UHFFFAOYSA-N
SMILES C1=CC(=C(C=C1N)F)C(=O)O
Formule moléculaire C7H6FNO2
12

5-Amino-2-bromobenzoic acid, 95%

CAS: 2840-02-0 Formule moléculaire: C7H6BrNO2 Poids moléculaire (g/mol): 216.03 Numéro MDL: MFCD07368968 Clé InChI: FEXDUVBQBNYSQV-UHFFFAOYSA-N Synonyme: 5-amino-2-bromo-benzoic acid,4-bromo-3-carboxyaniline,benzoic acid,5-amino-2-bromo,benzoic acid, 5-amino-2-bromo,pubchem4637,acmc-209h2e,5-amino-2-bromobenzoicacid,2-bromo-5-aminobenzoic acid,ksc561g5h,5-amino-2-bromo benzoic acid CID PubChem: 2769624 Nom IUPAC: 5-amino-2-bromobenzoic acid SMILES: NC1=CC(C(O)=O)=C(Br)C=C1

Poids moléculaire (g/mol) 216.03
Synonyme 5-amino-2-bromo-benzoic acid,4-bromo-3-carboxyaniline,benzoic acid,5-amino-2-bromo,benzoic acid, 5-amino-2-bromo,pubchem4637,acmc-209h2e,5-amino-2-bromobenzoicacid,2-bromo-5-aminobenzoic acid,ksc561g5h,5-amino-2-bromo benzoic acid
Numéro MDL MFCD07368968
CAS 2840-02-0
CID PubChem 2769624
Nom IUPAC 5-amino-2-bromobenzoic acid
Clé InChI FEXDUVBQBNYSQV-UHFFFAOYSA-N
SMILES NC1=CC(C(O)=O)=C(Br)C=C1
Formule moléculaire C7H6BrNO2
13

3-Aminophthalic acid hydrochloride dihydrate, 96%

CAS: 1852533-96-0 Formule moléculaire: C8H8ClNO4 Poids moléculaire (g/mol): 217.605 Numéro MDL: MFCD00150282 Clé InChI: ZBZAVEORKXFUQB-UHFFFAOYSA-N Synonyme: 3-aminophthalic acid hydrochloride,1,2-benzenedicarboxylic acid, 3-amino-, hydrochloride,1,2-benzenedicarboxylic acid, 3-amino-, hydrochloride 1:1,phthalic acid, hydrochloride,1, 3-amino-, hydrochloride,3-aminobenzene-1,2-dicarboxylic acid hydrochloride,3-amino phthalic acid hydrochloride,phthalic acid, 3-amino-, hydrochloride,acmc-1b7k3,ghl.pd_mitscher_leg0.1315 CID PubChem: 81375 Nom IUPAC: 3-aminophthalic acid;hydrochloride SMILES: C1=CC(=C(C(=C1)N)C(=O)O)C(=O)O.Cl

Poids moléculaire (g/mol) 217.605
Synonyme 3-aminophthalic acid hydrochloride,1,2-benzenedicarboxylic acid, 3-amino-, hydrochloride,1,2-benzenedicarboxylic acid, 3-amino-, hydrochloride 1:1,phthalic acid, hydrochloride,1, 3-amino-, hydrochloride,3-aminobenzene-1,2-dicarboxylic acid hydrochloride,3-amino phthalic acid hydrochloride,phthalic acid, 3-amino-, hydrochloride,acmc-1b7k3,ghl.pd_mitscher_leg0.1315
Numéro MDL MFCD00150282
CAS 1852533-96-0
CID PubChem 81375
Nom IUPAC 3-aminophthalic acid;hydrochloride
Clé InChI ZBZAVEORKXFUQB-UHFFFAOYSA-N
SMILES C1=CC(=C(C(=C1)N)C(=O)O)C(=O)O.Cl
Formule moléculaire C8H8ClNO4
14

3-Amino-2,4,6-triiodobenzoic acid, 99% (dry wt.), water <4%

CAS: 3119-15-1 Formule moléculaire: C7H3I3NNaO2 Poids moléculaire (g/mol): 536.81 Numéro MDL: MFCD00007681 Clé InChI: CTXRMWPLTDAHOR-UHFFFAOYSA-M Synonyme: unii-99h77d8mtd,3-amino-2,4,6-triiodo-benzoic acid,acido 3-amino-2,4,6-triiodobenzoico italian,benzoic acid, 3-amino-2,4,6-triiodo,3-amino-2,4,6-triiodo-benzoicacid,acido 3-amino-2,4,6-triiodobenzoico,pubchem4987,acmc-1co9w,4-14-00-01118 beilstein handbook reference,2,4,6-triiodo-3-aminobenzoic acid CID PubChem: 18387 Nom IUPAC: 3-amino-2,4,6-triiodobenzoic acid SMILES: [Na+].NC1=C(I)C=C(I)C(C([O-])=O)=C1I

Poids moléculaire (g/mol) 536.81
Synonyme unii-99h77d8mtd,3-amino-2,4,6-triiodo-benzoic acid,acido 3-amino-2,4,6-triiodobenzoico italian,benzoic acid, 3-amino-2,4,6-triiodo,3-amino-2,4,6-triiodo-benzoicacid,acido 3-amino-2,4,6-triiodobenzoico,pubchem4987,acmc-1co9w,4-14-00-01118 beilstein handbook reference,2,4,6-triiodo-3-aminobenzoic acid
Numéro MDL MFCD00007681
CAS 3119-15-1
CID PubChem 18387
Nom IUPAC 3-amino-2,4,6-triiodobenzoic acid
Clé InChI CTXRMWPLTDAHOR-UHFFFAOYSA-M
SMILES [Na+].NC1=C(I)C=C(I)C(C([O-])=O)=C1I
Formule moléculaire C7H3I3NNaO2
15

Metoclopramide hydrochloride, 98%

CAS: 7232-21-5 Formule moléculaire: C14H23Cl2N3O2 Poids moléculaire (g/mol): 336.26 Clé InChI: RVFUNJWWXKCWNS-UHFFFAOYSA-N Nom IUPAC: 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide hydrochloride SMILES: Cl.CCN(CC)CCNC(=O)C1=CC(Cl)=C(N)C=C1OC

Poids moléculaire (g/mol) 336.26
CAS 7232-21-5
Nom IUPAC 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide hydrochloride
Clé InChI RVFUNJWWXKCWNS-UHFFFAOYSA-N
SMILES Cl.CCN(CC)CCNC(=O)C1=CC(Cl)=C(N)C=C1OC
Formule moléculaire C14H23Cl2N3O2