2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]prop-2-enoic acid

Systemtic Name: 2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]prop-2-enoic acid Openeye Name: 2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]prop-2-enoic acid CAS Name: 2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-4-pyrazolyl]-2-propenoic acid IUPAC Name: 2-cyano-3-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]prop-2-enoic acid Traditional Name: 2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]acrylic acid Formula: C16H12N4O2 MolecularWeight: 292.29208

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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=C2C=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)