6-chloranyl-2-[(2-methylphenyl)amino]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid

Systemtic Name: 6-chloranyl-2-[(2-methylphenyl)amino]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-chloro-2-(2-methylanilino)-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-chloro-2-(2-methylanilino)-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-chloro-2-(2-methylanilino)-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-chloro-1-keto-2-(o-toluidino)-4-phenyl-isoquinoline-3-carboxylic acid Formula: C23H17ClN2O3 MolecularWeight: 404.84568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NN2C(=C(C3=C(C2=O)C=CC(=C3)Cl)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1NN2C(=C(C3=C(C2=O)C=CC(=C3)Cl)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C23H17ClN2O3/c1-14-7-5-6-10-19(14)25-26-21(23(28)29)20(15-8-3-2-4-9-15)18-13-16(24)11-12-17(18)22(26)27/h2-13,25H,1H3,(H,28,29)