2-[3,3-bis(2-hydroxyethylamino)-2-nitro-prop-2-enylidene]-5,5-dimethyl-cyclohexane-1,3-dione

Systemtic Name: 2-[3,3-bis(2-hydroxyethylamino)-2-nitro-prop-2-enylidene]-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-[3,3-bis(2-hydroxyethylamino)-2-nitro-prop-2-enylidene]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[3,3-bis(2-hydroxyethylamino)-2-nitroprop-2-enylidene]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[3,3-bis(2-hydroxyethylamino)-2-nitroprop-2-enylidene]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[3,3-bis(2-hydroxyethylamino)-2-nitro-prop-2-enylidene]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C15H23N3O6 MolecularWeight: 341.35962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N3O6/c1-15(2)8-12(21)10(13(22)9-15)7-11(18(23)24)14(16-3-5-19)17-4-6-20/h7,16-17,19-20H,3-6,8-9H2,1-2H3