4-[3-(4-ethoxyphenyl)-6-oxidanylidene-pyridazin-1-yl]-N-(3-nitrophenyl)butanamide

Systemtic Name: 4-[3-(4-ethoxyphenyl)-6-oxidanylidene-pyridazin-1-yl]-N-(3-nitrophenyl)butanamide Openeye Name: 4-[3-(4-ethoxyphenyl)-6-oxo-pyridazin-1-yl]-N-(3-nitrophenyl)butanamide CAS Name: 4-[3-(4-ethoxyphenyl)-6-oxo-1-pyridazinyl]-N-(3-nitrophenyl)butanamide IUPAC Name: 4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-nitrophenyl)butanamide Traditional Name: 4-(6-keto-3-p-phenetyl-pyridazin-1-yl)-N-(3-nitrophenyl)butyramide Formula: C22H22N4O5 MolecularWeight: 422.43388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O5/c1-2-31-19-10-8-16(9-11-19)20-12-13-22(28)25(24-20)14-4-7-21(27)23-17-5-3-6-18(15-17)26(29)30/h3,5-6,8-13,15H,2,4,7,14H2,1H3,(H,23,27)