[2-(3-bromophenyl)-2-oxidanylidene-ethyl] 4-(5-methylpyrazol-1-yl)benzoate

Systemtic Name: [2-(3-bromophenyl)-2-oxidanylidene-ethyl] 4-(5-methylpyrazol-1-yl)benzoate Openeye Name: [2-(3-bromophenyl)-2-oxo-ethyl] 4-(5-methylpyrazol-1-yl)benzoate CAS Name: 4-(5-methyl-1-pyrazolyl)benzoic acid [2-(3-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromophenyl)-2-oxoethyl] 4-(5-methylpyrazol-1-yl)benzoate Traditional Name: 4-(5-methylpyrazol-1-yl)benzoic acid [2-(3-bromophenyl)-2-keto-ethyl] ester Formula: C19H15BrN2O3 MolecularWeight: 399.238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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