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

Systemtic Name: [2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 4-bromanyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(1,1-dimethylpropylamino)-2-oxo-ethyl] 4-bromo-1H-pyrrole-2-carboxylate CAS Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-(2-methylbutan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 4-bromo-1H-pyrrole-2-carboxylate Traditional Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-(tert-amylamino)-2-keto-ethyl] ester Formula: C12H17BrN2O3 MolecularWeight: 317.17898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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