[1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl] (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: [1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl] (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate Openeye Name: [2-(3-chlorophenyl)-1-methyl-2-oxo-ethyl] (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-propenoic acid [1-(3-chlorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chlorophenyl)-1-oxopropan-2-yl] (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acrylic acid [2-(3-chlorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C23H21ClN2O3 MolecularWeight: 408.87744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C=CC(=O)OC(C)C(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)/C=C/C(=O)OC(C)C(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C23H21ClN2O3/c1-15-21(16(2)26(25-15)20-10-5-4-6-11-20)12-13-22(27)29-17(3)23(28)18-8-7-9-19(24)14-18/h4-14,17H,1-3H3/b13-12+