(E)-2-cyano-3-[3-(4-ethylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: (E)-2-cyano-3-[3-(4-ethylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: (E)-2-cyano-3-[3-(4-ethylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-[3-(4-ethylphenyl)-1-phenyl-4-pyrazolyl]-2-propenoate IUPAC Name: (E)-2-cyano-3-[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[3-(4-ethylphenyl)-1-phenyl-pyrazol-4-yl]acrylate Formula: C21H16N3O2- MolecularWeight: 342.37064

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C21H17N3O2/c1-2-15-8-10-16(11-9-15)20-18(12-17(13-22)21(25)26)14-24(23-20)19-6-4-3-5-7-19/h3-12,14H,2H2,1H3,(H,25,26)/p-1/b17-12+