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

Systemtic Name: 3-[4-(2,2-dicyanoethenyl)-3-(4-fluorophenyl)pyrazol-1-yl]propanoic acid Openeye Name: 3-[4-(2,2-dicyanovinyl)-3-(4-fluorophenyl)pyrazol-1-yl]propanoic acid CAS Name: 3-[4-(2,2-dicyanoethenyl)-3-(4-fluorophenyl)-1-pyrazolyl]propanoic acid IUPAC Name: 3-[4-(2,2-dicyanoethenyl)-3-(4-fluorophenyl)pyrazol-1-yl]propanoic acid Traditional Name: 3-[4-(2,2-dicyanovinyl)-3-(4-fluorophenyl)pyrazol-1-yl]propionic acid Formula: C16H11FN4O2 MolecularWeight: 310.282543

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN(C=C2C=C(C#N)C#N)CCC(=O)O)F

Isomeric SMILES

C1=CC(=CC=C1C2=NN(C=C2C=C(C#N)C#N)CCC(=O)O)F

InChI

InChI=1S/C16H11FN4O2/c17-14-3-1-12(2-4-14)16-13(7-11(8-18)9-19)10-21(20-16)6-5-15(22)23/h1-4,7,10H,5-6H2,(H,22,23)