3-(1,3-benzodioxol-5-yl)-4-nitro-5-oxidanyl-cyclohexan-1-one

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-4-nitro-5-oxidanyl-cyclohexan-1-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-5-hydroxy-4-nitro-cyclohexanone CAS Name: 3-(1,3-benzodioxol-5-yl)-5-hydroxy-4-nitro-1-cyclohexanone IUPAC Name: 3-(1,3-benzodioxol-5-yl)-5-hydroxy-4-nitrocyclohexan-1-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-5-hydroxy-4-nitro-cyclohexanone Formula: C13H13NO6 MolecularWeight: 279.24542

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(CC1=O)O)[N+](=O)[O-])C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1C(C(C(CC1=O)O)[N+](=O)[O-])C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H13NO6/c15-8-4-9(13(14(17)18)10(16)5-8)7-1-2-11-12(3-7)20-6-19-11/h1-3,9-10,13,16H,4-6H2