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

Systemtic Name: (E)-3-[1-[(2-chlorophenyl)methyl]-3-phenyl-pyrazol-4-yl]-2-cyano-prop-2-enoate Openeye Name: (E)-3-[1-[(2-chlorophenyl)methyl]-3-phenyl-pyrazol-4-yl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[1-[(2-chlorophenyl)methyl]-3-phenyl-4-pyrazolyl]-2-cyano-2-propenoate IUPAC Name: (E)-3-[1-[(2-chlorophenyl)methyl]-3-phenylpyrazol-4-yl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[1-(2-chlorobenzyl)-3-phenyl-pyrazol-4-yl]-2-cyano-acrylate Formula: C20H13ClN3O2- MolecularWeight: 362.78912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)[O-])CC3=CC=CC=C3Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)[O-])CC3=CC=CC=C3Cl

InChI

InChI=1S/C20H14ClN3O2/c21-18-9-5-4-8-15(18)12-24-13-17(10-16(11-22)20(25)26)19(23-24)14-6-2-1-3-7-14/h1-10,13H,12H2,(H,25,26)/p-1/b16-10+