3-[(3S)-7-bromanyl-2-oxidanylidene-3,4-dihydro-1H-quinolin-3-yl]propanoic acid

Systemtic Name: 3-[(3S)-7-bromanyl-2-oxidanylidene-3,4-dihydro-1H-quinolin-3-yl]propanoic acid Openeye Name: 3-[(3S)-7-bromo-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoic acid CAS Name: 3-[(3S)-7-bromo-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoic acid IUPAC Name: 3-[(3S)-7-bromo-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoic acid Traditional Name: 3-[(3S)-7-bromo-2-keto-3,4-dihydro-1H-quinolin-3-yl]propionic acid Formula: C12H12BrNO3 MolecularWeight: 298.13258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)NC2=C1C=CC(=C2)Br)CCC(=O)O

Isomeric SMILES

C1[C@@H](C(=O)NC2=C1C=CC(=C2)Br)CCC(=O)O

InChI

InChI=1S/C12H12BrNO3/c13-9-3-1-7-5-8(2-4-11(15)16)12(17)14-10(7)6-9/h1,3,6,8H,2,4-5H2,(H,14,17)(H,15,16)/t8-/m0/s1