[1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-bromanyl-1H-pyrrole-2-carboxylate

Systemtic Name: [1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-bromanyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl] 4-bromo-1H-pyrrole-2-carboxylate CAS Name: 4-bromo-1H-pyrrole-2-carboxylic acid [1-[[(tert-butylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 4-bromo-1H-pyrrole-2-carboxylate Traditional Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-(tert-butylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C13H18BrN3O4 MolecularWeight: 360.20372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18BrN3O4/c1-7(10(18)16-12(20)17-13(2,3)4)21-11(19)9-5-8(14)6-15-9/h5-7,15H,1-4H3,(H2,16,17,18,20)