3-[(3S)-6-bromanyl-2-oxidanylidene-3,4-dihydro-1H-quinolin-3-yl]propanoic acid

Systemtic Name: 3-[(3S)-6-bromanyl-2-oxidanylidene-3,4-dihydro-1H-quinolin-3-yl]propanoic acid Openeye Name: 3-[(3S)-6-bromo-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoic acid CAS Name: 3-[(3S)-6-bromo-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoic acid IUPAC Name: 3-[(3S)-6-bromo-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoic acid Traditional Name: 3-[(3S)-6-bromo-2-keto-3,4-dihydro-1H-quinolin-3-yl]propionic acid Formula: C12H12BrNO3 MolecularWeight: 298.13258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12BrNO3/c13-9-2-3-10-8(6-9)5-7(12(17)14-10)1-4-11(15)16/h2-3,6-7H,1,4-5H2,(H,14,17)(H,15,16)/t7-/m0/s1