[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 4-chloranyl-1-methyl-pyrazole-3-carboxylate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 4-chloranyl-1-methyl-pyrazole-3-carboxylate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 4-chloro-1-methyl-pyrazole-3-carboxylate CAS Name: 4-chloro-1-methyl-3-pyrazolecarboxylic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 4-chloro-1-methylpyrazole-3-carboxylate Traditional Name: 4-chloro-1-methyl-pyrazole-3-carboxylic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C13H10BrClN2O3 MolecularWeight: 357.5871

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)OCC(=O)C2=CC=C(C=C2)Br)Cl

Isomeric SMILES

CN1C=C(C(=N1)C(=O)OCC(=O)C2=CC=C(C=C2)Br)Cl

InChI

InChI=1S/C13H10BrClN2O3/c1-17-6-10(15)12(16-17)13(19)20-7-11(18)8-2-4-9(14)5-3-8/h2-6H,7H2,1H3