(2-azanyl-2-oxidanylidene-ethyl) 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Openeye Name: (2-amino-2-oxo-ethyl) 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid (2-amino-2-keto-ethyl) ester Formula: C12H10BrN3O3 MolecularWeight: 324.1301

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NNC(=C2)C(=O)OCC(=O)N)Br

Isomeric SMILES

C1=CC(=CC=C1C2=NNC(=C2)C(=O)OCC(=O)N)Br

InChI

InChI=1S/C12H10BrN3O3/c13-8-3-1-7(2-4-8)9-5-10(16-15-9)12(18)19-6-11(14)17/h1-5H,6H2,(H2,14,17)(H,15,16)