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

Systemtic Name: methyl 2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: methyl 2-[(4-chloro-3-nitro-benzoyl)amino]-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-1-oxo-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-chloro-3-nitrobenzoyl)amino]-1-oxoisoquinoline-4-carboxylate Traditional Name: 2-[(4-chloro-3-nitro-benzoyl)amino]-1-keto-isoquinoline-4-carboxylic acid methyl ester Formula: C18H12ClN3O6 MolecularWeight: 401.75738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12ClN3O6/c1-28-18(25)13-9-21(17(24)12-5-3-2-4-11(12)13)20-16(23)10-6-7-14(19)15(8-10)22(26)27/h2-9H,1H3,(H,20,23)