(2E)-4,4-dimethyl-2-[[2-methyl-3-(3-methylbut-2-en-2-yl)-4-nitro-phenyl]-oxidanyl-methylidene]cyclohexane-1,3-dione

Systemtic Name: (2E)-4,4-dimethyl-2-[[2-methyl-3-(3-methylbut-2-en-2-yl)-4-nitro-phenyl]-oxidanyl-methylidene]cyclohexane-1,3-dione Openeye Name: (2E)-2-[[3-(1,2-dimethylprop-1-enyl)-2-methyl-4-nitro-phenyl]-hydroxy-methylene]-4,4-dimethyl-cyclohexane-1,3-dione CAS Name: (2E)-2-[hydroxy-[2-methyl-3-(3-methylbut-2-en-2-yl)-4-nitrophenyl]methylidene]-4,4-dimethylcyclohexane-1,3-dione IUPAC Name: (2E)-2-[hydroxy-[2-methyl-3-(3-methylbut-2-en-2-yl)-4-nitrophenyl]methylidene]-4,4-dimethylcyclohexane-1,3-dione Traditional Name: (2E)-2-[[3-(1,2-dimethylprop-1-enyl)-2-methyl-4-nitro-phenyl]-hydroxy-methylene]-4,4-dimethyl-cyclohexane-1,3-quinone Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C(=C(C)C)C)[N+](=O)[O-])C(=C2C(=O)CCC(C2=O)(C)C)O

Isomeric SMILES

CC1=C(C=CC(=C1C(=C(C)C)C)[N+](=O)[O-])/C(=C\2/C(=O)CCC(C2=O)(C)C)/O

InChI

InChI=1S/C21H25NO5/c1-11(2)12(3)17-13(4)14(7-8-15(17)22(26)27)19(24)18-16(23)9-10-21(5,6)20(18)25/h7-8,24H,9-10H2,1-6H3/b19-18+