methyl 2-[(4-methoxy-3-nitro-phenyl)carbonylamino]-1-oxidanylidene-isoquinoline-4-carboxylate

Systemtic Name: methyl 2-[(4-methoxy-3-nitro-phenyl)carbonylamino]-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: methyl 2-[(4-methoxy-3-nitro-benzoyl)amino]-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-[[(4-methoxy-3-nitrophenyl)-oxomethyl]amino]-1-oxo-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-methoxy-3-nitrobenzoyl)amino]-1-oxoisoquinoline-4-carboxylate Traditional Name: 1-keto-2-[(4-methoxy-3-nitro-benzoyl)amino]isoquinoline-4-carboxylic acid methyl ester Formula: C19H15N3O7 MolecularWeight: 397.3383

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NN2C=C(C3=CC=CC=C3C2=O)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NN2C=C(C3=CC=CC=C3C2=O)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H15N3O7/c1-28-16-8-7-11(9-15(16)22(26)27)17(23)20-21-10-14(19(25)29-2)12-5-3-4-6-13(12)18(21)24/h3-10H,1-2H3,(H,20,23)