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

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-1-phenyl-ethyl) 4-bromanyl-1H-pyrrole-2-carboxylate Openeye Name: (2-morpholino-2-oxo-1-phenyl-ethyl) 4-bromo-1H-pyrrole-2-carboxylate CAS Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-(4-morpholinyl)-2-oxo-1-phenylethyl] ester IUPAC Name: (2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-bromo-1H-pyrrole-2-carboxylate Traditional Name: 4-bromo-1H-pyrrole-2-carboxylic acid (2-keto-2-morpholino-1-phenyl-ethyl) ester Formula: C17H17BrN2O4 MolecularWeight: 393.23188

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C(C2=CC=CC=C2)OC(=O)C3=CC(=CN3)Br

Isomeric SMILES

C1COCCN1C(=O)C(C2=CC=CC=C2)OC(=O)C3=CC(=CN3)Br

InChI

InChI=1S/C17H17BrN2O4/c18-13-10-14(19-11-13)17(22)24-15(12-4-2-1-3-5-12)16(21)20-6-8-23-9-7-20/h1-5,10-11,15,19H,6-9H2