(E)-3-[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-2-cyano-prop-2-enoate

Systemtic Name: (E)-3-[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-2-cyano-prop-2-enoate Openeye Name: (E)-3-[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-2-cyano-2-propenoate IUPAC Name: (E)-3-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[1-(2-chlorobenzyl)-3,5-dimethyl-pyrazol-4-yl]-2-cyano-acrylate Formula: C16H13ClN3O2- MolecularWeight: 314.74632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)C=C(C#N)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)/C=C(\C#N)/C(=O)[O-]

InChI

InChI=1S/C16H14ClN3O2/c1-10-14(7-13(8-18)16(21)22)11(2)20(19-10)9-12-5-3-4-6-15(12)17/h3-7H,9H2,1-2H3,(H,21,22)/p-1/b13-7+