[(3S)-7-bromanyl-1-oxidanylidene-3,4-dihydro-2H-isoquinolin-3-yl]methyl methyl carbonate

Systemtic Name: [(3S)-7-bromanyl-1-oxidanylidene-3,4-dihydro-2H-isoquinolin-3-yl]methyl methyl carbonate Openeye Name: [(3S)-7-bromo-1-oxo-3,4-dihydro-2H-isoquinolin-3-yl]methyl methyl carbonate CAS Name: carbonic acid [(3S)-7-bromo-1-oxo-3,4-dihydro-2H-isoquinolin-3-yl]methyl methyl ester IUPAC Name: [(3S)-7-bromo-1-oxo-3,4-dihydro-2H-isoquinolin-3-yl]methyl methyl carbonate Traditional Name: carbonic acid [(3S)-7-bromo-1-keto-3,4-dihydro-2H-isoquinolin-3-yl]methyl methyl ester Formula: C12H12BrNO4 MolecularWeight: 314.13198

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)OCC1CC2=C(C=C(C=C2)Br)C(=O)N1

Isomeric SMILES

COC(=O)OC[C@@H]1CC2=C(C=C(C=C2)Br)C(=O)N1

InChI

InChI=1S/C12H12BrNO4/c1-17-12(16)18-6-9-4-7-2-3-8(13)5-10(7)11(15)14-9/h2-3,5,9H,4,6H2,1H3,(H,14,15)/t9-/m0/s1