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

Systemtic Name: (E)-2-cyano-3-[3-(2-methoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: (E)-3-[1-benzyl-3-(2-methoxyphenyl)pyrazol-4-yl]-2-cyano-prop-2-enoate CAS Name: (E)-2-cyano-3-[3-(2-methoxyphenyl)-1-(phenylmethyl)-4-pyrazolyl]-2-propenoate IUPAC Name: (E)-3-[1-benzyl-3-(2-methoxyphenyl)pyrazol-4-yl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[1-benzyl-3-(2-methoxyphenyl)pyrazol-4-yl]-2-cyano-acrylate Formula: C21H16N3O3- MolecularWeight: 358.37004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN(C=C2C=C(C#N)C(=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1C2=NN(C=C2/C=C(\C#N)/C(=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C21H17N3O3/c1-27-19-10-6-5-9-18(19)20-17(11-16(12-22)21(25)26)14-24(23-20)13-15-7-3-2-4-8-15/h2-11,14H,13H2,1H3,(H,25,26)/p-1/b16-11+