[1-[(2-methyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-chlorophenyl)-2-methyl-1-oxidanylidene-isoquinoline-3-carboxylate

Systemtic Name: [1-[(2-methyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-chlorophenyl)-2-methyl-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: [1-methyl-2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl] 4-(4-chlorophenyl)-2-methyl-1-oxo-isoquinoline-3-carboxylate CAS Name: 4-(4-chlorophenyl)-2-methyl-1-oxo-3-isoquinolinecarboxylic acid [1-(2-methyl-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methyl-5-nitroanilino)-1-oxopropan-2-yl] 4-(4-chlorophenyl)-2-methyl-1-oxoisoquinoline-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-1-keto-2-methyl-isoquinoline-3-carboxylic acid [2-keto-1-methyl-2-(2-methyl-5-nitro-anilino)ethyl] ester Formula: C27H22ClN3O6 MolecularWeight: 519.93308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(C)OC(=O)C2=C(C3=CC=CC=C3C(=O)N2C)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(C)OC(=O)C2=C(C3=CC=CC=C3C(=O)N2C)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H22ClN3O6/c1-15-8-13-19(31(35)36)14-22(15)29-25(32)16(2)37-27(34)24-23(17-9-11-18(28)12-10-17)20-6-4-5-7-21(20)26(33)30(24)3/h4-14,16H,1-3H3,(H,29,32)