methyl 3-bromanyl-5-(2-oxidanylidenepyrrolidin-1-yl)benzoate

Systemtic Name: methyl 3-bromanyl-5-(2-oxidanylidenepyrrolidin-1-yl)benzoate Openeye Name: methyl 3-bromo-5-(2-oxopyrrolidin-1-yl)benzoate CAS Name: 3-bromo-5-(2-oxo-1-pyrrolidinyl)benzoic acid methyl ester IUPAC Name: methyl 3-bromo-5-(2-oxopyrrolidin-1-yl)benzoate Traditional Name: 3-bromo-5-(2-ketopyrrolidino)benzoic acid methyl ester Formula: C12H12BrNO3 MolecularWeight: 298.13258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)Br)N2CCCC2=O

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)Br)N2CCCC2=O

InChI

InChI=1S/C12H12BrNO3/c1-17-12(16)8-5-9(13)7-10(6-8)14-4-2-3-11(14)15/h5-7H,2-4H2,1H3