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

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-4-[3-(4-methylphenyl)-6-oxidanylidene-pyridazin-1-yl]butanamide Openeye Name: N-(2-methoxy-5-nitro-phenyl)-4-[6-oxo-3-(p-tolyl)pyridazin-1-yl]butanamide CAS Name: N-(2-methoxy-5-nitrophenyl)-4-[3-(4-methylphenyl)-6-oxo-1-pyridazinyl]butanamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide Traditional Name: 4-[6-keto-3-(p-tolyl)pyridazin-1-yl]-N-(2-methoxy-5-nitro-phenyl)butyramide Formula: C22H22N4O5 MolecularWeight: 422.43388

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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-])OC

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O5/c1-15-5-7-16(8-6-15)18-10-12-22(28)25(24-18)13-3-4-21(27)23-19-14-17(26(29)30)9-11-20(19)31-2/h5-12,14H,3-4,13H2,1-2H3,(H,23,27)