(E)-2-cyano-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-2-cyano-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-(3-nitrophenyl)acrylamide Formula: C21H17N5O4 MolecularWeight: 403.39078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(=CC3=CC(=CC=C3)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)/C(=C/C3=CC(=CC=C3)[N+](=O)[O-])/C#N

InChI

InChI=1S/C21H17N5O4/c1-14-19(21(28)25(24(14)2)17-8-4-3-5-9-17)23-20(27)16(13-22)11-15-7-6-10-18(12-15)26(29)30/h3-12H,1-2H3,(H,23,27)/b16-11+