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

Systemtic Name: N-(2-cyano-4-nitro-phenyl)-4-(6-oxidanylidene-3-phenyl-pyridazin-1-yl)butanamide Openeye Name: N-(2-cyano-4-nitro-phenyl)-4-(6-oxo-3-phenyl-pyridazin-1-yl)butanamide CAS Name: N-(2-cyano-4-nitrophenyl)-4-(6-oxo-3-phenyl-1-pyridazinyl)butanamide IUPAC Name: N-(2-cyano-4-nitrophenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide Traditional Name: N-(2-cyano-4-nitro-phenyl)-4-(6-keto-3-phenyl-pyridazin-1-yl)butyramide Formula: C21H17N5O4 MolecularWeight: 403.39078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N5O4/c22-14-16-13-17(26(29)30)8-9-18(16)23-20(27)7-4-12-25-21(28)11-10-19(24-25)15-5-2-1-3-6-15/h1-3,5-6,8-11,13H,4,7,12H2,(H,23,27)