methyl 2-[2-(3,4-dichlorophenyl)ethanoylamino]-1-oxidanylidene-isoquinoline-4-carboxylate

Systemtic Name: methyl 2-[2-(3,4-dichlorophenyl)ethanoylamino]-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: methyl 2-[[2-(3,4-dichlorophenyl)acetyl]amino]-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-[[2-(3,4-dichlorophenyl)-1-oxoethyl]amino]-1-oxo-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(3,4-dichlorophenyl)acetyl]amino]-1-oxoisoquinoline-4-carboxylate Traditional Name: 2-[[2-(3,4-dichlorophenyl)acetyl]amino]-1-keto-isoquinoline-4-carboxylic acid methyl ester Formula: C19H14Cl2N2O4 MolecularWeight: 405.23146

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C(=O)C2=CC=CC=C21)NC(=O)CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

COC(=O)C1=CN(C(=O)C2=CC=CC=C21)NC(=O)CC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C19H14Cl2N2O4/c1-27-19(26)14-10-23(18(25)13-5-3-2-4-12(13)14)22-17(24)9-11-6-7-15(20)16(21)8-11/h2-8,10H,9H2,1H3,(H,22,24)