4-bromanyl-2,2,5,5-tetramethyl-1-oxidanidyl-pyrrole-3-carboxylic acid

Systemtic Name: 4-bromanyl-2,2,5,5-tetramethyl-1-oxidanidyl-pyrrole-3-carboxylic acid Openeye Name: 4-bromo-2,2,5,5-tetramethyl-1-oxido-pyrrole-3-carboxylic acid CAS Name: 4-bromo-2,2,5,5-tetramethyl-1-oxido-3-pyrrolecarboxylic acid IUPAC Name: 4-bromo-2,2,5,5-tetramethyl-1-oxidopyrrole-3-carboxylic acid Traditional Name: 4-bromo-2,2,5,5-tetramethyl-1-oxido-3-pyrroline-3-carboxylic acid Formula: C9H13BrNO3- MolecularWeight: 263.10842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=C(C(N1[O-])(C)C)Br)C(=O)O)C

Isomeric SMILES

CC1(C(=C(C(N1[O-])(C)C)Br)C(=O)O)C

InChI

InChI=1S/C9H13BrNO3/c1-8(2)5(7(12)13)6(10)9(3,4)11(8)14/h1-4H3,(H,12,13)/q-1