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

Systemtic Name: methyl 2-[(3-methyl-4-nitro-phenyl)carbonylamino]-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: methyl 2-[(3-methyl-4-nitro-benzoyl)amino]-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]-1-oxo-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(3-methyl-4-nitrobenzoyl)amino]-1-oxoisoquinoline-4-carboxylate Traditional Name: 1-keto-2-[(3-methyl-4-nitro-benzoyl)amino]isoquinoline-4-carboxylic acid methyl ester Formula: C19H15N3O6 MolecularWeight: 381.3389

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NN2C=C(C3=CC=CC=C3C2=O)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NN2C=C(C3=CC=CC=C3C2=O)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H15N3O6/c1-11-9-12(7-8-16(11)22(26)27)17(23)20-21-10-15(19(25)28-2)13-5-3-4-6-14(13)18(21)24/h3-10H,1-2H3,(H,20,23)