methyl 5-(3-bromophenyl)carbonyloxy-1-methyl-pyrazole-3-carboxylate

Systemtic Name: methyl 5-(3-bromophenyl)carbonyloxy-1-methyl-pyrazole-3-carboxylate Openeye Name: methyl 5-(3-bromobenzoyl)oxy-1-methyl-pyrazole-3-carboxylate CAS Name: 5-[(3-bromophenyl)-oxomethoxy]-1-methyl-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-(3-bromobenzoyl)oxy-1-methylpyrazole-3-carboxylate Traditional Name: 5-(3-bromobenzoyl)oxy-1-methyl-pyrazole-3-carboxylic acid methyl ester Formula: C13H11BrN2O4 MolecularWeight: 339.14144

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=N1)C(=O)OC)OC(=O)C2=CC(=CC=C2)Br

Isomeric SMILES

CN1C(=CC(=N1)C(=O)OC)OC(=O)C2=CC(=CC=C2)Br

InChI

InChI=1S/C13H11BrN2O4/c1-16-11(7-10(15-16)13(18)19-2)20-12(17)8-4-3-5-9(14)6-8/h3-7H,1-2H3