(E)-3-[1-(2-cyanoethyl)-3-(4-methylphenyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: (E)-3-[1-(2-cyanoethyl)-3-(4-methylphenyl)pyrazol-4-yl]prop-2-enoate Openeye Name: (E)-3-[1-(2-cyanoethyl)-3-(p-tolyl)pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[1-(2-cyanoethyl)-3-(4-methylphenyl)-4-pyrazolyl]-2-propenoate IUPAC Name: (E)-3-[1-(2-cyanoethyl)-3-(4-methylphenyl)pyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[1-(2-cyanoethyl)-3-(p-tolyl)pyrazol-4-yl]acrylate Formula: C16H14N3O2- MolecularWeight: 280.30126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C=CC(=O)[O-])CCC#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2/C=C/C(=O)[O-])CCC#N

InChI

InChI=1S/C16H15N3O2/c1-12-3-5-13(6-4-12)16-14(7-8-15(20)21)11-19(18-16)10-2-9-17/h3-8,11H,2,10H2,1H3,(H,20,21)/p-1/b8-7+