dimethyl (5S,6S)-1-nitro-4,5,6,7-tetrahydro-2-benzofuran-5,6-dicarboxylate

Systemtic Name: dimethyl (5S,6S)-1-nitro-4,5,6,7-tetrahydro-2-benzofuran-5,6-dicarboxylate Openeye Name: dimethyl (5S,6S)-1-nitro-4,5,6,7-tetrahydroisobenzofuran-5,6-dicarboxylate CAS Name: (5S,6S)-1-nitro-4,5,6,7-tetrahydroisobenzofuran-5,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (5S,6S)-1-nitro-4,5,6,7-tetrahydro-2-benzofuran-5,6-dicarboxylate Traditional Name: (5S,6S)-1-nitro-4,5,6,7-tetrahydroisobenzofuran-5,6-dicarboxylic acid dimethyl ester Formula: C12H13NO7 MolecularWeight: 283.23412

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=COC(=C2CC1C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

COC(=O)[C@H]1CC2=COC(=C2C[C@@H]1C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C12H13NO7/c1-18-11(14)8-3-6-5-20-10(13(16)17)7(6)4-9(8)12(15)19-2/h5,8-9H,3-4H2,1-2H3/t8-,9-/m0/s1