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

Systemtic Name: 3-[4-(2,2-dicyanoethenyl)-3-(4-methylphenyl)pyrazol-1-yl]propanoic acid Openeye Name: 3-[4-(2,2-dicyanovinyl)-3-(p-tolyl)pyrazol-1-yl]propanoic acid CAS Name: 3-[4-(2,2-dicyanoethenyl)-3-(4-methylphenyl)-1-pyrazolyl]propanoic acid IUPAC Name: 3-[4-(2,2-dicyanoethenyl)-3-(4-methylphenyl)pyrazol-1-yl]propanoic acid Traditional Name: 3-[4-(2,2-dicyanovinyl)-3-(p-tolyl)pyrazol-1-yl]propionic acid Formula: C17H14N4O2 MolecularWeight: 306.31866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C#N)CCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C#N)CCC(=O)O

InChI

InChI=1S/C17H14N4O2/c1-12-2-4-14(5-3-12)17-15(8-13(9-18)10-19)11-21(20-17)7-6-16(22)23/h2-5,8,11H,6-7H2,1H3,(H,22,23)