2-[(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)-(3-methoxy-5-nitro-4-oxidanyl-phenyl)methyl]-5,5-dimethyl-3-oxidanyl-cyclohex-2-en-1-one

Systemtic Name: 2-[(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)-(3-methoxy-5-nitro-4-oxidanyl-phenyl)methyl]-5,5-dimethyl-3-oxidanyl-cyclohex-2-en-1-one Openeye Name: 3-hydroxy-2-[(2-hydroxy-4,4-dimethyl-6-oxo-cyclohexen-1-yl)-(4-hydroxy-3-methoxy-5-nitro-phenyl)methyl]-5,5-dimethyl-cyclohex-2-en-1-one CAS Name: 3-hydroxy-2-[(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)-(4-hydroxy-3-methoxy-5-nitrophenyl)methyl]-5,5-dimethyl-1-cyclohex-2-enone IUPAC Name: 3-hydroxy-2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-(4-hydroxy-3-methoxy-5-nitrophenyl)methyl]-5,5-dimethylcyclohex-2-en-1-one Traditional Name: 3-hydroxy-2-[(2-hydroxy-6-keto-4,4-dimethyl-cyclohexen-1-yl)-(4-hydroxy-3-methoxy-5-nitro-phenyl)methyl]-5,5-dimethyl-cyclohex-2-en-1-one Formula: C24H29NO8 MolecularWeight: 459.48896

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C(C2=CC(=C(C(=C2)OC)O)[N+](=O)[O-])C3=C(CC(CC3=O)(C)C)O)O)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)C(C2=CC(=C(C(=C2)OC)O)[N+](=O)[O-])C3=C(CC(CC3=O)(C)C)O)O)C

InChI

InChI=1S/C24H29NO8/c1-23(2)8-14(26)20(15(27)9-23)19(21-16(28)10-24(3,4)11-17(21)29)12-6-13(25(31)32)22(30)18(7-12)33-5/h6-7,19,26,28,30H,8-11H2,1-5H3