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

Systemtic Name: phenacyl (E)-3-[5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enoate Openeye Name: phenacyl (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 phenacyl ester IUPAC Name: phenacyl (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 phenacyl ester Formula: C19H21ClN2O3 MolecularWeight: 360.83464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)OCC(=O)C2=CC=CC=C2)Cl)CC(C)C

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)OCC(=O)C2=CC=CC=C2)Cl)CC(C)C

InChI

InChI=1S/C19H21ClN2O3/c1-13(2)11-22-19(20)16(14(3)21-22)9-10-18(24)25-12-17(23)15-7-5-4-6-8-15/h4-10,13H,11-12H2,1-3H3/b10-9+