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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)OC2=CC=C(C=C2)C(=O)C)Cl)CC(C)C

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)OC2=CC=C(C=C2)C(=O)C)Cl)CC(C)C

InChI

InChI=1S/C19H21ClN2O3/c1-12(2)11-22-19(20)17(13(3)21-22)9-10-18(24)25-16-7-5-15(6-8-16)14(4)23/h5-10,12H,11H2,1-4H3/b10-9+