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

Systemtic Name: [1-[(2,4-dichlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(2,4-dichloroanilino)-1-methyl-2-oxo-ethyl] 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-phenyl-4-pyrazolecarboxylic acid [1-(2,4-dichloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylic acid [2-(2,4-dichloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H16Cl3N3O3 MolecularWeight: 452.71834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OC(C)C(=O)NC2=C(C=C(C=C2)Cl)Cl)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)OC(C)C(=O)NC2=C(C=C(C=C2)Cl)Cl)Cl)C3=CC=CC=C3

InChI

InChI=1S/C20H16Cl3N3O3/c1-11-17(18(23)26(25-11)14-6-4-3-5-7-14)20(28)29-12(2)19(27)24-16-9-8-13(21)10-15(16)22/h3-10,12H,1-2H3,(H,24,27)