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

Systemtic Name: 3-[4-(2,2-dicyanoethenyl)-3-(4-phenylphenyl)pyrazol-1-yl]propanoic acid Openeye Name: 3-[4-(2,2-dicyanovinyl)-3-(4-phenylphenyl)pyrazol-1-yl]propanoic acid CAS Name: 3-[4-(2,2-dicyanoethenyl)-3-(4-phenylphenyl)-1-pyrazolyl]propanoic acid IUPAC Name: 3-[4-(2,2-dicyanoethenyl)-3-(4-phenylphenyl)pyrazol-1-yl]propanoic acid Traditional Name: 3-[4-(2,2-dicyanovinyl)-3-(4-phenylphenyl)pyrazol-1-yl]propionic acid Formula: C22H16N4O2 MolecularWeight: 368.38804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NN(C=C3C=C(C#N)C#N)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NN(C=C3C=C(C#N)C#N)CCC(=O)O

InChI

InChI=1S/C22H16N4O2/c23-13-16(14-24)12-20-15-26(11-10-21(27)28)25-22(20)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h1-9,12,15H,10-11H2,(H,27,28)