(3,3-dimethyl-2-oxidanylidene-butyl) (E)-3-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) (E)-3-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) (E)-3-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) (E)-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]acrylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C24H23ClN2O3 MolecularWeight: 422.90402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C=CC1=CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)/C=C/C1=CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C24H23ClN2O3/c1-24(2,3)21(28)16-30-22(29)14-11-18-15-27(20-7-5-4-6-8-20)26-23(18)17-9-12-19(25)13-10-17/h4-15H,16H2,1-3H3/b14-11+