(2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 4-bromanyl-1H-pyrrole-2-carboxylate

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 4-bromanyl-1H-pyrrole-2-carboxylate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) 4-bromo-1H-pyrrole-2-carboxylate CAS Name: 4-bromo-1H-pyrrole-2-carboxylic acid (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) 4-bromo-1H-pyrrole-2-carboxylate Traditional Name: 4-bromo-1H-pyrrole-2-carboxylic acid (2-amino-2-keto-1-phenyl-ethyl) ester Formula: C13H11BrN2O3 MolecularWeight: 323.14204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)N)OC(=O)C2=CC(=CN2)Br

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)N)OC(=O)C2=CC(=CN2)Br

InChI

InChI=1S/C13H11BrN2O3/c14-9-6-10(16-7-9)13(18)19-11(12(15)17)8-4-2-1-3-5-8/h1-7,11,16H,(H2,15,17)