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

Systemtic Name: 3-[3-(3-chlorophenyl)-4-(2,2-dicyanoethenyl)pyrazol-1-yl]propanoic acid Openeye Name: 3-[3-(3-chlorophenyl)-4-(2,2-dicyanovinyl)pyrazol-1-yl]propanoic acid CAS Name: 3-[3-(3-chlorophenyl)-4-(2,2-dicyanoethenyl)-1-pyrazolyl]propanoic acid IUPAC Name: 3-[3-(3-chlorophenyl)-4-(2,2-dicyanoethenyl)pyrazol-1-yl]propanoic acid Traditional Name: 3-[3-(3-chlorophenyl)-4-(2,2-dicyanovinyl)pyrazol-1-yl]propionic acid Formula: C16H11ClN4O2 MolecularWeight: 326.73714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11ClN4O2/c17-14-3-1-2-12(7-14)16-13(6-11(8-18)9-19)10-21(20-16)5-4-15(22)23/h1-3,6-7,10H,4-5H2,(H,22,23)