(2R,4S)-1-[(4-bromanyl-1H-pyrrol-2-yl)carbonyl]-4-methoxy-pyrrolidine-2-carboxylate

Systemtic Name: (2R,4S)-1-[(4-bromanyl-1H-pyrrol-2-yl)carbonyl]-4-methoxy-pyrrolidine-2-carboxylate Openeye Name: (2R,4S)-1-(4-bromo-1H-pyrrole-2-carbonyl)-4-methoxy-pyrrolidine-2-carboxylate CAS Name: (2R,4S)-1-[(4-bromo-1H-pyrrol-2-yl)-oxomethyl]-4-methoxy-2-pyrrolidinecarboxylate IUPAC Name: (2R,4S)-1-(4-bromo-1H-pyrrole-2-carbonyl)-4-methoxypyrrolidine-2-carboxylate Traditional Name: (2R,4S)-1-(4-bromo-1H-pyrrole-2-carbonyl)-4-methoxy-pyrrolidine-2-carboxylate Formula: C11H12BrN2O4- MolecularWeight: 316.12798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1CC(N(C1)C(=O)C2=CC(=CN2)Br)C(=O)[O-]

Isomeric SMILES

CO[C@H]1C[C@@H](N(C1)C(=O)C2=CC(=CN2)Br)C(=O)[O-]

InChI

InChI=1S/C11H13BrN2O4/c1-18-7-3-9(11(16)17)14(5-7)10(15)8-2-6(12)4-13-8/h2,4,7,9,13H,3,5H2,1H3,(H,16,17)/p-1/t7-,9+/m0/s1