[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate

Systemtic Name: [2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: [2-(3,4-dimethylanilino)-2-oxo-ethyl] 1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 1-oxo-2H-isoquinoline-3-carboxylic acid [2-(3,4-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylanilino)-2-oxoethyl] 1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 1-keto-2H-isoquinoline-3-carboxylic acid [2-(3,4-dimethylanilino)-2-keto-ethyl] ester Formula: C20H18N2O4 MolecularWeight: 350.36792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC3=CC=CC=C3C(=O)N2)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC3=CC=CC=C3C(=O)N2)C

InChI

InChI=1S/C20H18N2O4/c1-12-7-8-15(9-13(12)2)21-18(23)11-26-20(25)17-10-14-5-3-4-6-16(14)19(24)22-17/h3-10H,11H2,1-2H3,(H,21,23)(H,22,24)