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

Systemtic Name: (E)-2-cyano-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-2-cyano-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-2-cyano-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-N-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-2-cyano-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-(3-nitrophenyl)acrylamide Formula: C21H17N5O3 MolecularWeight: 387.39138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C=C(C#N)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)/C=C(\C#N)/C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H17N5O3/c1-14-20(15(2)25(24-14)18-8-4-3-5-9-18)11-16(13-22)21(27)23-17-7-6-10-19(12-17)26(28)29/h3-12H,1-2H3,(H,23,27)/b16-11+