methyl (E)-3-[5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-2-cyano-prop-2-enoate

Systemtic Name: methyl (E)-3-[5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-2-cyano-prop-2-enoate Openeye Name: methyl (E)-3-[5-chloro-3-methyl-1-(p-tolylmethyl)pyrazol-4-yl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-4-pyrazolyl]-2-cyano-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[5-chloro-3-methyl-1-(4-methylbenzyl)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=CC=C(C=C1)CN2C(=C(C(=N2)C)C=C(C#N)C(=O)OC)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)/C=C(\C#N)/C(=O)OC)Cl

InChI

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