methyl (3S)-7-nitro-1-oxidanylidene-3,4-dihydroisochromene-3-carboxylate

Systemtic Name: methyl (3S)-7-nitro-1-oxidanylidene-3,4-dihydroisochromene-3-carboxylate Openeye Name: methyl (3S)-7-nitro-1-oxo-isochromane-3-carboxylate CAS Name: (3S)-7-nitro-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl (3S)-7-nitro-1-oxo-3,4-dihydroisochromene-3-carboxylate Traditional Name: (3S)-1-keto-7-nitro-isochroman-3-carboxylic acid methyl ester Formula: C11H9NO6 MolecularWeight: 251.19226

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O1

Isomeric SMILES

COC(=O)[C@@H]1CC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O1

InChI

InChI=1S/C11H9NO6/c1-17-11(14)9-4-6-2-3-7(12(15)16)5-8(6)10(13)18-9/h2-3,5,9H,4H2,1H3/t9-/m0/s1