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

Systemtic Name: 4-[3-(4-methoxyphenyl)-6-oxidanylidene-pyridazin-1-yl]-N-(2-methyl-6-nitro-phenyl)butanamide Openeye Name: 4-[3-(4-methoxyphenyl)-6-oxo-pyridazin-1-yl]-N-(2-methyl-6-nitro-phenyl)butanamide CAS Name: 4-[3-(4-methoxyphenyl)-6-oxo-1-pyridazinyl]-N-(2-methyl-6-nitrophenyl)butanamide IUPAC Name: 4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-methyl-6-nitrophenyl)butanamide Traditional Name: 4-[6-keto-3-(4-methoxyphenyl)pyridazin-1-yl]-N-(2-methyl-6-nitro-phenyl)butyramide Formula: C22H22N4O5 MolecularWeight: 422.43388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)CCCN2C(=O)C=CC(=N2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)CCCN2C(=O)C=CC(=N2)C3=CC=C(C=C3)OC

InChI

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