2-(6-nitro-1,3-benzodioxol-5-yl)cyclohexan-1-one

Systemtic Name: 2-(6-nitro-1,3-benzodioxol-5-yl)cyclohexan-1-one Openeye Name: 2-(6-nitro-1,3-benzodioxol-5-yl)cyclohexanone CAS Name: 2-(6-nitro-1,3-benzodioxol-5-yl)-1-cyclohexanone IUPAC Name: 2-(6-nitro-1,3-benzodioxol-5-yl)cyclohexan-1-one Traditional Name: 2-(6-nitro-1,3-benzodioxol-5-yl)cyclohexanone Formula: C13H13NO5 MolecularWeight: 263.24602

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)C2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

C1CCC(=O)C(C1)C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C13H13NO5/c15-11-4-2-1-3-8(11)9-5-12-13(19-7-18-12)6-10(9)14(16)17/h5-6,8H,1-4,7H2