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

Systemtic Name: [1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 4-bromanyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(tert-butylamino)-1-methyl-2-oxo-ethyl] 4-bromo-1H-pyrrole-2-carboxylate CAS Name: 4-bromo-1H-pyrrole-2-carboxylic acid [1-(tert-butylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(tert-butylamino)-1-oxopropan-2-yl] 4-bromo-1H-pyrrole-2-carboxylate Traditional Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-(tert-butylamino)-2-keto-1-methyl-ethyl] ester Formula: C12H17BrN2O3 MolecularWeight: 317.17898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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