5,5-dimethyl-2-nitro-3-(3-oxidanylpropylamino)cyclohex-2-en-1-one

Systemtic Name: 5,5-dimethyl-2-nitro-3-(3-oxidanylpropylamino)cyclohex-2-en-1-one Openeye Name: 3-(3-hydroxypropylamino)-5,5-dimethyl-2-nitro-cyclohex-2-en-1-one CAS Name: 3-(3-hydroxypropylamino)-5,5-dimethyl-2-nitro-1-cyclohex-2-enone IUPAC Name: 3-(3-hydroxypropylamino)-5,5-dimethyl-2-nitrocyclohex-2-en-1-one Traditional Name: 3-(3-hydroxypropylamino)-5,5-dimethyl-2-nitro-cyclohex-2-en-1-one Formula: C11H18N2O4 MolecularWeight: 242.27162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H18N2O4/c1-11(2)6-8(12-4-3-5-14)10(13(16)17)9(15)7-11/h12,14H,3-7H2,1-2H3