ethyl 4,4-bis(chloranyl)-1-[(4-chlorophenyl)carbamoyl]-5-oxidanylidene-pyrazole-3-carboxylate

Systemtic Name: ethyl 4,4-bis(chloranyl)-1-[(4-chlorophenyl)carbamoyl]-5-oxidanylidene-pyrazole-3-carboxylate Openeye Name: ethyl 4,4-dichloro-1-[(4-chlorophenyl)carbamoyl]-5-oxo-pyrazole-3-carboxylate CAS Name: 4,4-dichloro-1-[(4-chloroanilino)-oxomethyl]-5-oxo-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4,4-dichloro-1-[(4-chlorophenyl)carbamoyl]-5-oxopyrazole-3-carboxylate Traditional Name: 4,4-dichloro-1-[(4-chlorophenyl)carbamoyl]-5-keto-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C13H10Cl3N3O4 MolecularWeight: 378.5952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C1(Cl)Cl)C(=O)NC2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C1(Cl)Cl)C(=O)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H10Cl3N3O4/c1-2-23-10(20)9-13(15,16)11(21)19(18-9)12(22)17-8-5-3-7(14)4-6-8/h3-6H,2H2,1H3,(H,17,22)