[4-(2,4-dichlorophenyl)carbonyl-5-methyl-2-prop-2-enyl-pyrazol-3-yl] 4-chloranylbenzoate

Systemtic Name: [4-(2,4-dichlorophenyl)carbonyl-5-methyl-2-prop-2-enyl-pyrazol-3-yl] 4-chloranylbenzoate Openeye Name: [2-allyl-4-(2,4-dichlorobenzoyl)-5-methyl-pyrazol-3-yl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [4-[(2,4-dichlorophenyl)-oxomethyl]-5-methyl-2-prop-2-enyl-3-pyrazolyl] ester IUPAC Name: [4-(2,4-dichlorobenzoyl)-5-methyl-2-prop-2-enylpyrazol-3-yl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [2-allyl-4-(2,4-dichlorobenzoyl)-5-methyl-pyrazol-3-yl] ester Formula: C21H15Cl3N2O3 MolecularWeight: 449.7144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)C2=C(C=C(C=C2)Cl)Cl)OC(=O)C3=CC=C(C=C3)Cl)CC=C

Isomeric SMILES

CC1=NN(C(=C1C(=O)C2=C(C=C(C=C2)Cl)Cl)OC(=O)C3=CC=C(C=C3)Cl)CC=C

InChI

InChI=1S/C21H15Cl3N2O3/c1-3-10-26-20(29-21(28)13-4-6-14(22)7-5-13)18(12(2)25-26)19(27)16-9-8-15(23)11-17(16)24/h3-9,11H,1,10H2,2H3