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

Systemtic Name: methyl [(3R)-7-nitro-1-oxidanylidene-3,4-dihydro-2H-isoquinolin-3-yl]methyl carbonate Openeye Name: methyl [(3R)-7-nitro-1-oxo-3,4-dihydro-2H-isoquinolin-3-yl]methyl carbonate CAS Name: carbonic acid methyl [(3R)-7-nitro-1-oxo-3,4-dihydro-2H-isoquinolin-3-yl]methyl ester IUPAC Name: methyl [(3R)-7-nitro-1-oxo-3,4-dihydro-2H-isoquinolin-3-yl]methyl carbonate Traditional Name: carbonic acid [(3R)-1-keto-7-nitro-3,4-dihydro-2H-isoquinolin-3-yl]methyl methyl ester Formula: C12H12N2O6 MolecularWeight: 280.23348

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)OCC1CC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N1

Isomeric SMILES

COC(=O)OC[C@H]1CC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N1

InChI

InChI=1S/C12H12N2O6/c1-19-12(16)20-6-8-4-7-2-3-9(14(17)18)5-10(7)11(15)13-8/h2-3,5,8H,4,6H2,1H3,(H,13,15)/t8-/m1/s1