methyl (3S)-6-nitro-3,4-dihydro-1H-isochromene-3-carboxylate

Systemtic Name: methyl (3S)-6-nitro-3,4-dihydro-1H-isochromene-3-carboxylate Openeye Name: methyl (3S)-6-nitroisochromane-3-carboxylate CAS Name: (3S)-6-nitro-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl (3S)-6-nitro-3,4-dihydro-1H-isochromene-3-carboxylate Traditional Name: (3S)-6-nitroisochroman-3-carboxylic acid methyl ester Formula: C11H11NO5 MolecularWeight: 237.20874

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=C(CO1)C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)[C@@H]1CC2=C(CO1)C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H11NO5/c1-16-11(13)10-5-8-4-9(12(14)15)3-2-7(8)6-17-10/h2-4,10H,5-6H2,1H3/t10-/m0/s1