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

Systemtic Name: 3-[4-(2,2-dicyanoethenyl)-3-(4-ethylphenyl)pyrazol-1-yl]propanoic acid Openeye Name: 3-[4-(2,2-dicyanovinyl)-3-(4-ethylphenyl)pyrazol-1-yl]propanoic acid CAS Name: 3-[4-(2,2-dicyanoethenyl)-3-(4-ethylphenyl)-1-pyrazolyl]propanoic acid IUPAC Name: 3-[4-(2,2-dicyanoethenyl)-3-(4-ethylphenyl)pyrazol-1-yl]propanoic acid Traditional Name: 3-[4-(2,2-dicyanovinyl)-3-(4-ethylphenyl)pyrazol-1-yl]propionic acid Formula: C18H16N4O2 MolecularWeight: 320.34524

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C#N)CCC(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C#N)CCC(=O)O

InChI

InChI=1S/C18H16N4O2/c1-2-13-3-5-15(6-4-13)18-16(9-14(10-19)11-20)12-22(21-18)8-7-17(23)24/h3-6,9,12H,2,7-8H2,1H3,(H,23,24)