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

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid (2-amino-2-keto-1-phenyl-ethyl) ester Formula: C18H14BrN3O3 MolecularWeight: 400.22606

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)N)OC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)N)OC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H14BrN3O3/c19-13-8-6-11(7-9-13)14-10-15(22-21-14)18(24)25-16(17(20)23)12-4-2-1-3-5-12/h1-10,16H,(H2,20,23)(H,21,22)