3-[2,3-bis(oxidanyl)propylamino]-5,5-dimethyl-2-nitro-cyclohex-2-en-1-one

Systemtic Name: 3-[2,3-bis(oxidanyl)propylamino]-5,5-dimethyl-2-nitro-cyclohex-2-en-1-one Openeye Name: 3-(2,3-dihydroxypropylamino)-5,5-dimethyl-2-nitro-cyclohex-2-en-1-one CAS Name: 3-(2,3-dihydroxypropylamino)-5,5-dimethyl-2-nitro-1-cyclohex-2-enone IUPAC Name: 3-(2,3-dihydroxypropylamino)-5,5-dimethyl-2-nitrocyclohex-2-en-1-one Traditional Name: 3-(glycerylamino)-5,5-dimethyl-2-nitro-cyclohex-2-en-1-one Formula: C11H18N2O5 MolecularWeight: 258.27102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H18N2O5/c1-11(2)3-8(12-5-7(15)6-14)10(13(17)18)9(16)4-11/h7,12,14-15H,3-6H2,1-2H3