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

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 4-bromanyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(isopropylcarbamoylamino)-2-oxo-ethyl] 4-bromo-1H-pyrrole-2-carboxylate CAS Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 4-bromo-1H-pyrrole-2-carboxylate Traditional Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-(isopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C11H14BrN3O4 MolecularWeight: 332.15056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14BrN3O4/c1-6(2)14-11(18)15-9(16)5-19-10(17)8-3-7(12)4-13-8/h3-4,6,13H,5H2,1-2H3,(H2,14,15,16,18)