(Z)-3-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]-2-(4-nitrophenyl)prop-2-enenitrile

Systemtic Name: (Z)-3-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]-2-(4-nitrophenyl)prop-2-enenitrile Openeye Name: (Z)-3-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)-2-(4-nitrophenyl)prop-2-enenitrile CAS Name: (Z)-3-[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]-2-(4-nitrophenyl)-2-propenenitrile IUPAC Name: (Z)-3-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(4-nitrophenyl)prop-2-enenitrile Traditional Name: (Z)-3-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)-2-(4-nitrophenyl)acrylonitrile Formula: C21H18N4O2 MolecularWeight: 358.39322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C=C(C#N)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)/C=C(\C#N)/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O2/c1-15-21(16(2)24(23-15)14-17-6-4-3-5-7-17)12-19(13-22)18-8-10-20(11-9-18)25(26)27/h3-12H,14H2,1-2H3/b19-12+