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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-4-nitro-cyclohexan-1-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-4-nitro-cyclohexanone CAS Name: 3-(1,3-benzodioxol-5-yl)-4-nitro-1-cyclohexanone IUPAC Name: 3-(1,3-benzodioxol-5-yl)-4-nitrocyclohexan-1-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-4-nitro-cyclohexanone Formula: C13H13NO5 MolecularWeight: 263.24602

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)CC(C1[N+](=O)[O-])C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CC(=O)CC(C1[N+](=O)[O-])C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H13NO5/c15-9-2-3-11(14(16)17)10(6-9)8-1-4-12-13(5-8)19-7-18-12/h1,4-5,10-11H,2-3,6-7H2