[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 5-bromanylfuran-2-carboxylate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 5-bromanylfuran-2-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 5-bromofuran-2-carboxylate CAS Name: 5-bromo-2-furancarboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 5-bromofuran-2-carboxylate Traditional Name: 5-bromofuran-2-carboxylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C13H16BrNO4 MolecularWeight: 330.17444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=CC=C(O2)Br

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=CC=C(O2)Br

InChI

InChI=1S/C13H16BrNO4/c14-11-6-5-10(19-11)13(17)18-9-12(16)15-7-3-1-2-4-8-15/h5-6H,1-4,7-9H2