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

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 4-bromanyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 4-bromo-1H-pyrrole-2-carboxylate CAS Name: 4-bromo-1H-pyrrole-2-carboxylic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 4-bromo-1H-pyrrole-2-carboxylate Traditional Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C14H19BrN2O3 MolecularWeight: 343.21626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C2=CC(=CN2)Br

Isomeric SMILES

CC(C(=O)N1CCCCCC1)OC(=O)C2=CC(=CN2)Br

InChI

InChI=1S/C14H19BrN2O3/c1-10(13(18)17-6-4-2-3-5-7-17)20-14(19)12-8-11(15)9-16-12/h8-10,16H,2-7H2,1H3