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

Systemtic Name: N-(2-methyl-6-nitro-phenyl)-4-[3-(4-methylphenyl)-6-oxidanylidene-pyridazin-1-yl]butanamide Openeye Name: N-(2-methyl-6-nitro-phenyl)-4-[6-oxo-3-(p-tolyl)pyridazin-1-yl]butanamide CAS Name: N-(2-methyl-6-nitrophenyl)-4-[3-(4-methylphenyl)-6-oxo-1-pyridazinyl]butanamide IUPAC Name: N-(2-methyl-6-nitrophenyl)-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide Traditional Name: 4-[6-keto-3-(p-tolyl)pyridazin-1-yl]-N-(2-methyl-6-nitro-phenyl)butyramide Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCCC(=O)NC3=C(C=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCCC(=O)NC3=C(C=CC=C3[N+](=O)[O-])C

InChI

InChI=1S/C22H22N4O4/c1-15-8-10-17(11-9-15)18-12-13-21(28)25(24-18)14-4-7-20(27)23-22-16(2)5-3-6-19(22)26(29)30/h3,5-6,8-13H,4,7,14H2,1-2H3,(H,23,27)