3-[3-(4-chlorophenyl)-1-(2-cyanoethyl)pyrazol-4-yl]-2-cyano-prop-2-enoic acid

Systemtic Name: 3-[3-(4-chlorophenyl)-1-(2-cyanoethyl)pyrazol-4-yl]-2-cyano-prop-2-enoic acid Openeye Name: 3-[3-(4-chlorophenyl)-1-(2-cyanoethyl)pyrazol-4-yl]-2-cyano-prop-2-enoic acid CAS Name: 3-[3-(4-chlorophenyl)-1-(2-cyanoethyl)-4-pyrazolyl]-2-cyano-2-propenoic acid IUPAC Name: 3-[3-(4-chlorophenyl)-1-(2-cyanoethyl)pyrazol-4-yl]-2-cyanoprop-2-enoic acid Traditional Name: 3-[3-(4-chlorophenyl)-1-(2-cyanoethyl)pyrazol-4-yl]-2-cyano-acrylic acid Formula: C16H11ClN4O2 MolecularWeight: 326.73714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11ClN4O2/c17-14-4-2-11(3-5-14)15-13(8-12(9-19)16(22)23)10-21(20-15)7-1-6-18/h2-5,8,10H,1,7H2,(H,22,23)