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

Systemtic Name: cyanomethyl (E)-3-[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]prop-2-enoate Openeye Name: cyanomethyl (E)-3-[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-2-propenoic acid cyanomethyl ester IUPAC Name: cyanomethyl (E)-3-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[1-(2-chlorobenzyl)-3,5-dimethyl-pyrazol-4-yl]acrylic acid cyanomethyl ester Formula: C17H16ClN3O2 MolecularWeight: 329.78084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)C=CC(=O)OCC#N

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)/C=C/C(=O)OCC#N

InChI

InChI=1S/C17H16ClN3O2/c1-12-15(7-8-17(22)23-10-9-19)13(2)21(20-12)11-14-5-3-4-6-16(14)18/h3-8H,10-11H2,1-2H3/b8-7+