5,5-dimethyl-2-nitro-3-[(2R)-1-oxidanylbutan-2-yl]imino-cyclohexan-1-one

Systemtic Name: 5,5-dimethyl-2-nitro-3-[(2R)-1-oxidanylbutan-2-yl]imino-cyclohexan-1-one Openeye Name: 3-[(1R)-1-(hydroxymethyl)propyl]imino-5,5-dimethyl-2-nitro-cyclohexanone CAS Name: 3-[(2R)-1-hydroxybutan-2-yl]imino-5,5-dimethyl-2-nitro-1-cyclohexanone IUPAC Name: 3-[(2R)-1-hydroxybutan-2-yl]imino-5,5-dimethyl-2-nitrocyclohexan-1-one Traditional Name: 5,5-dimethyl-3-[(1R)-1-methylolpropyl]imino-2-nitro-cyclohexanone Formula: C12H20N2O4 MolecularWeight: 256.2982

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)N=C1CC(CC(=O)C1[N+](=O)[O-])(C)C

Isomeric SMILES

CC[C@H](CO)N=C1CC(CC(=O)C1[N+](=O)[O-])(C)C

InChI

InChI=1S/C12H20N2O4/c1-4-8(7-15)13-9-5-12(2,3)6-10(16)11(9)14(17)18/h8,11,15H,4-7H2,1-3H3/t8-,11?/m1/s1