5,5-dimethyl-2-nitro-3-[[(2R)-1-oxidanylbutan-2-yl]amino]cyclohex-2-en-1-one

Systemtic Name: 5,5-dimethyl-2-nitro-3-[[(2R)-1-oxidanylbutan-2-yl]amino]cyclohex-2-en-1-one Openeye Name: 3-[[(1R)-1-(hydroxymethyl)propyl]amino]-5,5-dimethyl-2-nitro-cyclohex-2-en-1-one CAS Name: 3-[[(2R)-1-hydroxybutan-2-yl]amino]-5,5-dimethyl-2-nitro-1-cyclohex-2-enone IUPAC Name: 3-[[(2R)-1-hydroxybutan-2-yl]amino]-5,5-dimethyl-2-nitrocyclohex-2-en-1-one Traditional Name: 5,5-dimethyl-3-[[(1R)-1-methylolpropyl]amino]-2-nitro-cyclohex-2-en-1-one Formula: C12H20N2O4 MolecularWeight: 256.2982

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=C(C(=O)CC(C1)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC[C@H](CO)NC1=C(C(=O)CC(C1)(C)C)[N+](=O)[O-]

InChI

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