[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 4-oxo-3-phenyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-phenyl-1-phthalazinecarboxylic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 4-oxo-3-phenylphthalazine-1-carboxylate Traditional Name: 4-keto-3-phenyl-phthalazine-1-carboxylic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C24H18N4O6 MolecularWeight: 458.42292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C24H18N4O6/c1-15(22(29)25-16-8-7-11-18(14-16)28(32)33)34-24(31)21-19-12-5-6-13-20(19)23(30)27(26-21)17-9-3-2-4-10-17/h2-15H,1H3,(H,25,29)