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

Systemtic Name: propan-2-yl (E)-3-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-cyano-prop-2-enoate Openeye Name: isopropyl (E)-3-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[1-[(2-chlorophenyl)methyl]-4-pyrazolyl]-2-cyano-2-propenoic acid propan-2-yl ester IUPAC Name: propan-2-yl (E)-3-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[1-(2-chlorobenzyl)pyrazol-4-yl]-2-cyano-acrylic acid isopropyl ester Formula: C17H16ClN3O2 MolecularWeight: 329.78084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(=CC1=CN(N=C1)CC2=CC=CC=C2Cl)C#N

Isomeric SMILES

CC(C)OC(=O)/C(=C/C1=CN(N=C1)CC2=CC=CC=C2Cl)/C#N

InChI

InChI=1S/C17H16ClN3O2/c1-12(2)23-17(22)15(8-19)7-13-9-20-21(10-13)11-14-5-3-4-6-16(14)18/h3-7,9-10,12H,11H2,1-2H3/b15-7+