5,5-dimethyl-2-nitro-cyclohexane-1,3-dione

Systemtic Name: 5,5-dimethyl-2-nitro-cyclohexane-1,3-dione Openeye Name: 5,5-dimethyl-2-nitro-cyclohexane-1,3-dione CAS Name: 5,5-dimethyl-2-nitrocyclohexane-1,3-dione IUPAC Name: 5,5-dimethyl-2-nitrocyclohexane-1,3-dione Traditional Name: 5,5-dimethyl-2-nitro-cyclohexane-1,3-quinone Formula: C8H11NO4 MolecularWeight: 185.17724

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(=O)C1)[N+](=O)[O-])C

Isomeric SMILES

CC1(CC(=O)C(C(=O)C1)[N+](=O)[O-])C

InChI

InChI=1S/C8H11NO4/c1-8(2)3-5(10)7(9(12)13)6(11)4-8/h7H,3-4H2,1-2H3