methyl 2-[2-(4-nitrophenyl)carbonyl-3-oxidanyl-4-oxidanylidene-6-phenyl-1H-pyridazin-3-yl]ethanoate

Systemtic Name: methyl 2-[2-(4-nitrophenyl)carbonyl-3-oxidanyl-4-oxidanylidene-6-phenyl-1H-pyridazin-3-yl]ethanoate Openeye Name: methyl 2-[3-hydroxy-2-(4-nitrobenzoyl)-4-oxo-6-phenyl-1H-pyridazin-3-yl]acetate CAS Name: 2-[3-hydroxy-2-[(4-nitrophenyl)-oxomethyl]-4-oxo-6-phenyl-1H-pyridazin-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[3-hydroxy-2-(4-nitrobenzoyl)-4-oxo-6-phenyl-1H-pyridazin-3-yl]acetate Traditional Name: 2-[3-hydroxy-4-keto-2-(4-nitrobenzoyl)-6-phenyl-1H-pyridazin-3-yl]acetic acid methyl ester Formula: C20H17N3O7 MolecularWeight: 411.36488

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1(C(=O)C=C(NN1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)O

Isomeric SMILES

COC(=O)CC1(C(=O)C=C(NN1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)O

InChI

InChI=1S/C20H17N3O7/c1-30-18(25)12-20(27)17(24)11-16(13-5-3-2-4-6-13)21-22(20)19(26)14-7-9-15(10-8-14)23(28)29/h2-11,21,27H,12H2,1H3