[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 4-bromanyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 4-bromanyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 4-bromo-1H-pyrrole-2-carboxylate CAS Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 4-bromo-1H-pyrrole-2-carboxylate Traditional Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C12H17BrN2O3 MolecularWeight: 317.17898

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C1=CC(=CN1)Br

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)C1=CC(=CN1)Br

InChI

InChI=1S/C12H17BrN2O3/c1-3-9(4-2)15-11(16)7-18-12(17)10-5-8(13)6-14-10/h5-6,9,14H,3-4,7H2,1-2H3,(H,15,16)