[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-bromanyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-bromanyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 4-bromo-1H-pyrrole-2-carboxylate CAS Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 4-bromo-1H-pyrrole-2-carboxylate Traditional Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C13H17BrN2O3 MolecularWeight: 329.18968

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=CC(=CN2)Br

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=CC(=CN2)Br

InChI

InChI=1S/C13H17BrN2O3/c14-10-7-11(15-8-10)13(18)19-9-12(17)16-5-3-1-2-4-6-16/h7-8,15H,1-6,9H2