methyl 2-[(2-nitrophenyl)carbonylamino]-1-oxidanylidene-isoquinoline-4-carboxylate

Systemtic Name: methyl 2-[(2-nitrophenyl)carbonylamino]-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: methyl 2-[(2-nitrobenzoyl)amino]-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-[[(2-nitrophenyl)-oxomethyl]amino]-1-oxo-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-nitrobenzoyl)amino]-1-oxoisoquinoline-4-carboxylate Traditional Name: 1-keto-2-[(2-nitrobenzoyl)amino]isoquinoline-4-carboxylic acid methyl ester Formula: C18H13N3O6 MolecularWeight: 367.31232

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C(=O)C2=CC=CC=C21)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CN(C(=O)C2=CC=CC=C21)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H13N3O6/c1-27-18(24)14-10-20(17(23)12-7-3-2-6-11(12)14)19-16(22)13-8-4-5-9-15(13)21(25)26/h2-10H,1H3,(H,19,22)