methyl 1-[2,4-bis(oxidanylidene)-4-phenyl-butyl]-5-nitro-1H-isoquinoline-2-carboxylate

Systemtic Name: methyl 1-[2,4-bis(oxidanylidene)-4-phenyl-butyl]-5-nitro-1H-isoquinoline-2-carboxylate Openeye Name: methyl 1-(2,4-dioxo-4-phenyl-butyl)-5-nitro-1H-isoquinoline-2-carboxylate CAS Name: 1-(2,4-dioxo-4-phenylbutyl)-5-nitro-1H-isoquinoline-2-carboxylic acid methyl ester IUPAC Name: methyl 1-(2,4-dioxo-4-phenylbutyl)-5-nitro-1H-isoquinoline-2-carboxylate Traditional Name: 1-(2,4-diketo-4-phenyl-butyl)-5-nitro-1H-isoquinoline-2-carboxylic acid methyl ester Formula: C21H18N2O6 MolecularWeight: 394.37742

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1C=CC2=C(C1CC(=O)CC(=O)C3=CC=CC=C3)C=CC=C2[N+](=O)[O-]

Isomeric SMILES

COC(=O)N1C=CC2=C(C1CC(=O)CC(=O)C3=CC=CC=C3)C=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O6/c1-29-21(26)22-11-10-17-16(8-5-9-18(17)23(27)28)19(22)12-15(24)13-20(25)14-6-3-2-4-7-14/h2-11,19H,12-13H2,1H3