(2-oxidanylideneazepan-3-yl) 4-bromanyl-1H-pyrrole-2-carboxylate

Systemtic Name: (2-oxidanylideneazepan-3-yl) 4-bromanyl-1H-pyrrole-2-carboxylate Openeye Name: (2-oxoazepan-3-yl) 4-bromo-1H-pyrrole-2-carboxylate CAS Name: 4-bromo-1H-pyrrole-2-carboxylic acid (2-oxo-3-azepanyl) ester IUPAC Name: (2-oxoazepan-3-yl) 4-bromo-1H-pyrrole-2-carboxylate Traditional Name: 4-bromo-1H-pyrrole-2-carboxylic acid (2-ketoazepan-3-yl) ester Formula: C11H13BrN2O3 MolecularWeight: 301.13652

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)OC(=O)C2=CC(=CN2)Br

Isomeric SMILES

C1CCNC(=O)C(C1)OC(=O)C2=CC(=CN2)Br

InChI

InChI=1S/C11H13BrN2O3/c12-7-5-8(14-6-7)11(16)17-9-3-1-2-4-13-10(9)15/h5-6,9,14H,1-4H2,(H,13,15)