[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 4-(5-methylpyrazol-1-yl)benzoate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 4-(5-methylpyrazol-1-yl)benzoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 4-(5-methylpyrazol-1-yl)benzoate CAS Name: 4-(5-methyl-1-pyrazolyl)benzoic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 4-(5-methylpyrazol-1-yl)benzoate Traditional Name: 4-(5-methylpyrazol-1-yl)benzoic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C19H15BrN2O3 MolecularWeight: 399.238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=NN1C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H15BrN2O3/c1-13-10-11-21-22(13)17-8-4-15(5-9-17)19(24)25-12-18(23)14-2-6-16(20)7-3-14/h2-11H,12H2,1H3