3-[(3S)-8-bromanyl-2-oxidanylidene-3,4-dihydro-1H-quinolin-3-yl]propanoate

Systemtic Name: 3-[(3S)-8-bromanyl-2-oxidanylidene-3,4-dihydro-1H-quinolin-3-yl]propanoate Openeye Name: 3-[(3S)-8-bromo-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoate CAS Name: 3-[(3S)-8-bromo-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoate IUPAC Name: 3-[(3S)-8-bromo-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoate Traditional Name: 3-[(3S)-8-bromo-2-keto-3,4-dihydro-1H-quinolin-3-yl]propionate Formula: C12H11BrNO3- MolecularWeight: 297.12464

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)NC2=C1C=CC=C2Br)CCC(=O)[O-]

Isomeric SMILES

C1[C@@H](C(=O)NC2=C1C=CC=C2Br)CCC(=O)[O-]

InChI

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