[1-[(2,4-dichlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [1-[(2,4-dichlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(2,4-dichloroanilino)-1-methyl-2-oxo-ethyl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-phenyl-4-pyrazolecarboxylic acid [1-(2,4-dichloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate Traditional Name: 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylic acid [2-(2,4-dichloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H19Cl2N3O3 MolecularWeight: 432.29986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OC(C)C(=O)NC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OC(C)C(=O)NC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H19Cl2N3O3/c1-12-19(13(2)26(25-12)16-7-5-4-6-8-16)21(28)29-14(3)20(27)24-18-10-9-15(22)11-17(18)23/h4-11,14H,1-3H3,(H,24,27)