N-(2-methoxy-5-nitro-phenyl)-4-[3-(3-methoxyphenyl)-6-oxidanylidene-pyridazin-1-yl]butanamide

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-4-[3-(3-methoxyphenyl)-6-oxidanylidene-pyridazin-1-yl]butanamide Openeye Name: N-(2-methoxy-5-nitro-phenyl)-4-[3-(3-methoxyphenyl)-6-oxo-pyridazin-1-yl]butanamide CAS Name: N-(2-methoxy-5-nitrophenyl)-4-[3-(3-methoxyphenyl)-6-oxo-1-pyridazinyl]butanamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide Traditional Name: 4-[6-keto-3-(3-methoxyphenyl)pyridazin-1-yl]-N-(2-methoxy-5-nitro-phenyl)butyramide Formula: C22H22N4O6 MolecularWeight: 438.43328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCCN2C(=O)C=CC(=N2)C3=CC(=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCCN2C(=O)C=CC(=N2)C3=CC(=CC=C3)OC

InChI

InChI=1S/C22H22N4O6/c1-31-17-6-3-5-15(13-17)18-9-11-22(28)25(24-18)12-4-7-21(27)23-19-14-16(26(29)30)8-10-20(19)32-2/h3,5-6,8-11,13-14H,4,7,12H2,1-2H3,(H,23,27)