2-(2,4-dimethyl-1-nitro-3-oxidanylidene-pentan-2-yl)cyclohexan-1-one

Systemtic Name: 2-(2,4-dimethyl-1-nitro-3-oxidanylidene-pentan-2-yl)cyclohexan-1-one Openeye Name: 2-[1,3-dimethyl-1-(nitromethyl)-2-oxo-butyl]cyclohexanone CAS Name: 2-(2,4-dimethyl-1-nitro-3-oxopentan-2-yl)-1-cyclohexanone IUPAC Name: 2-(2,4-dimethyl-1-nitro-3-oxopentan-2-yl)cyclohexan-1-one Traditional Name: 2-[2-keto-1,3-dimethyl-1-(nitromethyl)butyl]cyclohexanone Formula: C13H21NO4 MolecularWeight: 255.31014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C(C)(C[N+](=O)[O-])C1CCCCC1=O

Isomeric SMILES

CC(C)C(=O)C(C)(C[N+](=O)[O-])C1CCCCC1=O

InChI

InChI=1S/C13H21NO4/c1-9(2)12(16)13(3,8-14(17)18)10-6-4-5-7-11(10)15/h9-10H,4-8H2,1-3H3