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

Systemtic Name: methyl 2-[2-(4-nitrophenyl)ethanoylamino]-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: methyl 2-[[2-(4-nitrophenyl)acetyl]amino]-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-[[2-(4-nitrophenyl)-1-oxoethyl]amino]-1-oxo-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-nitrophenyl)acetyl]amino]-1-oxoisoquinoline-4-carboxylate Traditional Name: 1-keto-2-[[2-(4-nitrophenyl)acetyl]amino]isoquinoline-4-carboxylic acid methyl ester Formula: C19H15N3O6 MolecularWeight: 381.3389

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C(=O)C2=CC=CC=C21)NC(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CN(C(=O)C2=CC=CC=C21)NC(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H15N3O6/c1-28-19(25)16-11-21(18(24)15-5-3-2-4-14(15)16)20-17(23)10-12-6-8-13(9-7-12)22(26)27/h2-9,11H,10H2,1H3,(H,20,23)