[3-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-methyl-phenyl] 3,4-bis(chloranyl)benzoate

Systemtic Name: [3-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-methyl-phenyl] 3,4-bis(chloranyl)benzoate Openeye Name: [3-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-methyl-phenyl] 3,4-dichlorobenzoate CAS Name: 3,4-dichlorobenzoic acid [3-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-methylphenyl] ester IUPAC Name: [3-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-methylphenyl] 3,4-dichlorobenzoate Traditional Name: 3,4-dichlorobenzoic acid [2-methyl-3-(1-pyrrolin-2-ylamino)phenyl] ester Formula: C18H16Cl2N2O2 MolecularWeight: 363.23784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1OC(=O)C2=CC(=C(C=C2)Cl)Cl)NC3=NCCC3

Isomeric SMILES

CC1=C(C=CC=C1OC(=O)C2=CC(=C(C=C2)Cl)Cl)NC3=NCCC3

InChI

InChI=1S/C18H16Cl2N2O2/c1-11-15(22-17-6-3-9-21-17)4-2-5-16(11)24-18(23)12-7-8-13(19)14(20)10-12/h2,4-5,7-8,10H,3,6,9H2,1H3,(H,21,22)