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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)COC(=O)C2=CC(=CN2)Br

Isomeric SMILES

C1CCCN(CCC1)C(=O)COC(=O)C2=CC(=CN2)Br

InChI

InChI=1S/C14H19BrN2O3/c15-11-8-12(16-9-11)14(19)20-10-13(18)17-6-4-2-1-3-5-7-17/h8-9,16H,1-7,10H2