(Z)-2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: (Z)-2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: (Z)-2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: (Z)-2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-4-pyrazolyl]-2-propenoate IUPAC Name: (Z)-2-cyano-3-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: (Z)-2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]acrylate Formula: C16H11N4O2- MolecularWeight: 291.28414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N4O2/c17-7-4-8-20-11-14(9-13(10-18)16(21)22)15(19-20)12-5-2-1-3-6-12/h1-3,5-6,9,11H,4,8H2,(H,21,22)/p-1/b13-9-