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

Systemtic Name: (4-cyanophenyl)methyl (E)-3-[5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enoate Openeye Name: (4-cyanophenyl)methyl (E)-3-(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolyl]-2-propenoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl (E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)acrylic acid (4-cyanobenzyl) ester Formula: C19H20ClN3O2 MolecularWeight: 357.834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)OCC2=CC=C(C=C2)C#N)Cl)CC(C)C

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)OCC2=CC=C(C=C2)C#N)Cl)CC(C)C

InChI

InChI=1S/C19H20ClN3O2/c1-13(2)11-23-19(20)17(14(3)22-23)8-9-18(24)25-12-16-6-4-15(10-21)5-7-16/h4-9,13H,11-12H2,1-3H3/b9-8+