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

Systemtic Name: prop-2-enyl (E)-3-[5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-2-cyano-prop-2-enoate Openeye Name: allyl (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 prop-2-enyl ester IUPAC Name: prop-2-enyl (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 allyl ester Formula: C19H18ClN3O2 MolecularWeight: 355.81812

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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)OCC=C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN3O2/c1-4-9-25-19(24)16(11-21)10-17-14(3)22-23(18(17)20)12-15-7-5-13(2)6-8-15/h4-8,10H,1,9,12H2,2-3H3/b16-10+