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

Systemtic Name: [2-(cyclopentylamino)-2-oxidanylidene-ethyl] 4-bromanyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(cyclopentylamino)-2-oxo-ethyl] 4-bromo-1H-pyrrole-2-carboxylate CAS Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-(cyclopentylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylamino)-2-oxoethyl] 4-bromo-1H-pyrrole-2-carboxylate Traditional Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-(cyclopentylamino)-2-keto-ethyl] ester Formula: C12H15BrN2O3 MolecularWeight: 315.1631

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)COC(=O)C2=CC(=CN2)Br

Isomeric SMILES

C1CCC(C1)NC(=O)COC(=O)C2=CC(=CN2)Br

InChI

InChI=1S/C12H15BrN2O3/c13-8-5-10(14-6-8)12(17)18-7-11(16)15-9-3-1-2-4-9/h5-6,9,14H,1-4,7H2,(H,15,16)