4-[3-(3,4-dimethoxyphenyl)-6-oxidanylidene-pyridazin-1-yl]-N-(2-nitrophenyl)butanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CCCC(=O)NC3=CC=CC=C3[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CCCC(=O)NC3=CC=CC=C3[N+](=O)[O-])OC

InChI

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