methyl (3S)-3-bromanyl-3-(3-oxidanylidene-4H-quinoxalin-2-yl)propanoate

Systemtic Name: methyl (3S)-3-bromanyl-3-(3-oxidanylidene-4H-quinoxalin-2-yl)propanoate Openeye Name: methyl (3S)-3-bromo-3-(3-oxo-4H-quinoxalin-2-yl)propanoate CAS Name: (3S)-3-bromo-3-(3-oxo-4H-quinoxalin-2-yl)propanoic acid methyl ester IUPAC Name: methyl (3S)-3-bromo-3-(3-oxo-4H-quinoxalin-2-yl)propanoate Traditional Name: (3S)-3-bromo-3-(3-keto-4H-quinoxalin-2-yl)propionic acid methyl ester Formula: C12H11BrN2O3 MolecularWeight: 311.13134

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=NC2=CC=CC=C2NC1=O)Br

Isomeric SMILES

COC(=O)C[C@@H](C1=NC2=CC=CC=C2NC1=O)Br

InChI

InChI=1S/C12H11BrN2O3/c1-18-10(16)6-7(13)11-12(17)15-9-5-3-2-4-8(9)14-11/h2-5,7H,6H2,1H3,(H,15,17)/t7-/m0/s1