[(2S,3R)-2-methyl-6-oxidanylidene-2,3-dihydropyran-3-yl] 4-nitrobenzoate

Systemtic Name: [(2S,3R)-2-methyl-6-oxidanylidene-2,3-dihydropyran-3-yl] 4-nitrobenzoate Openeye Name: [(2S,3R)-2-methyl-6-oxo-2,3-dihydropyran-3-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(2S,3R)-2-methyl-6-oxo-2,3-dihydropyran-3-yl] ester IUPAC Name: [(2S,3R)-2-methyl-6-oxo-2,3-dihydropyran-3-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(2S,3R)-6-keto-2-methyl-2,3-dihydropyran-3-yl] ester Formula: C13H11NO6 MolecularWeight: 277.22954

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C=CC(=O)O1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1[C@@H](C=CC(=O)O1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H11NO6/c1-8-11(6-7-12(15)19-8)20-13(16)9-2-4-10(5-3-9)14(17)18/h2-8,11H,1H3/t8-,11+/m0/s1