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

Systemtic Name: (E)-2-cyano-3-[3-(3-methylphenyl)-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: (E)-3-[1-benzyl-3-(m-tolyl)pyrazol-4-yl]-2-cyano-prop-2-enoate CAS Name: (E)-2-cyano-3-[3-(3-methylphenyl)-1-(phenylmethyl)-4-pyrazolyl]-2-propenoate IUPAC Name: (E)-3-[1-benzyl-3-(3-methylphenyl)pyrazol-4-yl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[1-benzyl-3-(m-tolyl)pyrazol-4-yl]-2-cyano-acrylate Formula: C21H16N3O2- MolecularWeight: 342.37064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN(C=C2C=C(C#N)C(=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C21H17N3O2/c1-15-6-5-9-17(10-15)20-19(11-18(12-22)21(25)26)14-24(23-20)13-16-7-3-2-4-8-16/h2-11,14H,13H2,1H3,(H,25,26)/p-1/b18-11+