(E)-2-cyano-N-(2-methylphenyl)-3-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(2-methylphenyl)-3-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-2-cyano-3-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]-N-(o-tolyl)prop-2-enamide CAS Name: (E)-2-cyano-N-(2-methylphenyl)-3-[3-(4-nitrophenyl)-1-phenyl-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-2-cyano-N-(2-methylphenyl)-3-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide Traditional Name: (E)-2-cyano-3-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]-N-(o-tolyl)acrylamide Formula: C26H19N5O3 MolecularWeight: 449.46076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)C#N

Isomeric SMILES

CC1=CC=CC=C1NC(=O)/C(=C/C2=CN(N=C2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)/C#N

InChI

InChI=1S/C26H19N5O3/c1-18-7-5-6-10-24(18)28-26(32)20(16-27)15-21-17-30(22-8-3-2-4-9-22)29-25(21)19-11-13-23(14-12-19)31(33)34/h2-15,17H,1H3,(H,28,32)/b20-15+