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

Systemtic Name: methyl (E)-3-[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-2-cyano-prop-2-enoate Openeye Name: methyl (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-propenoic acid methyl ester IUPAC Name: methyl (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-acrylic acid methyl 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=C(C#N)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClN3O2/c1-11-15(8-14(9-19)17(22)23-3)12(2)21(20-11)10-13-6-4-5-7-16(13)18/h4-8H,10H2,1-3H3/b14-8+