[3,4,5-triacetyloxy-6-[nitro-(3-oxidanylidenecyclohexyl)methyl]oxan-2-yl]methyl ethanoate

Systemtic Name: [3,4,5-triacetyloxy-6-[nitro-(3-oxidanylidenecyclohexyl)methyl]oxan-2-yl]methyl ethanoate Openeye Name: [3,4,5-triacetoxy-6-[nitro-(3-oxocyclohexyl)methyl]tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [3,4,5-triacetyloxy-6-[nitro-(3-oxocyclohexyl)methyl]-2-oxanyl]methyl ester IUPAC Name: [3,4,5-triacetyloxy-6-[nitro-(3-oxocyclohexyl)methyl]oxan-2-yl]methyl acetate Traditional Name: acetic acid [3,4,5-triacetoxy-6-[(3-ketocyclohexyl)-nitro-methyl]tetrahydropyran-2-yl]methyl ester Formula: C21H29NO12 MolecularWeight: 487.45446

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)C(C2CCCC(=O)C2)[N+](=O)[O-])OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OCC1C(C(C(C(O1)C(C2CCCC(=O)C2)[N+](=O)[O-])OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C21H29NO12/c1-10(23)30-9-16-18(31-11(2)24)20(32-12(3)25)21(33-13(4)26)19(34-16)17(22(28)29)14-6-5-7-15(27)8-14/h14,16-21H,5-9H2,1-4H3