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

Systemtic Name: N-(2-methyl-6-nitro-phenyl)-4-(6-oxidanylidene-3-phenyl-pyridazin-1-yl)butanamide Openeye Name: N-(2-methyl-6-nitro-phenyl)-4-(6-oxo-3-phenyl-pyridazin-1-yl)butanamide CAS Name: N-(2-methyl-6-nitrophenyl)-4-(6-oxo-3-phenyl-1-pyridazinyl)butanamide IUPAC Name: N-(2-methyl-6-nitrophenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide Traditional Name: 4-(6-keto-3-phenyl-pyridazin-1-yl)-N-(2-methyl-6-nitro-phenyl)butyramide Formula: C21H20N4O4 MolecularWeight: 392.4079

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O4/c1-15-7-5-10-18(25(28)29)21(15)22-19(26)11-6-14-24-20(27)13-12-17(23-24)16-8-3-2-4-9-16/h2-5,7-10,12-13H,6,11,14H2,1H3,(H,22,26)