3-[4-(2,2-dicyanoethenyl)-3-phenyl-pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[4-(2,2-dicyanoethenyl)-3-phenyl-pyrazol-1-yl]propanoic acid Openeye Name: 3-[4-(2,2-dicyanovinyl)-3-phenyl-pyrazol-1-yl]propanoic acid CAS Name: 3-[4-(2,2-dicyanoethenyl)-3-phenyl-1-pyrazolyl]propanoic acid IUPAC Name: 3-[4-(2,2-dicyanoethenyl)-3-phenylpyrazol-1-yl]propanoic acid Traditional Name: 3-[4-(2,2-dicyanovinyl)-3-phenyl-pyrazol-1-yl]propionic 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#N)CCC(=O)O

Isomeric SMILES

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

InChI

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