2-[3-(nitromethyl)-2-oxidanylidene-pentan-3-yl]cyclohexan-1-one

Systemtic Name: 2-[3-(nitromethyl)-2-oxidanylidene-pentan-3-yl]cyclohexan-1-one Openeye Name: 2-[1-ethyl-1-(nitromethyl)-2-oxo-propyl]cyclohexanone CAS Name: 2-[3-(nitromethyl)-2-oxopentan-3-yl]-1-cyclohexanone IUPAC Name: 2-[3-(nitromethyl)-2-oxopentan-3-yl]cyclohexan-1-one Traditional Name: 2-[1-ethyl-2-keto-1-(nitromethyl)propyl]cyclohexanone Formula: C12H19NO4 MolecularWeight: 241.28356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19NO4/c1-3-12(9(2)14,8-13(16)17)10-6-4-5-7-11(10)15/h10H,3-8H2,1-2H3