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

Systemtic Name: 5-methyl-2-[[2-methyl-3-(3-methylbut-2-en-2-yl)-4-nitro-phenyl]-oxidanyl-methylidene]cyclohexane-1,3-dione Openeye Name: 2-[[3-(1,2-dimethylprop-1-enyl)-2-methyl-4-nitro-phenyl]-hydroxy-methylene]-5-methyl-cyclohexane-1,3-dione CAS Name: 2-[hydroxy-[2-methyl-3-(3-methylbut-2-en-2-yl)-4-nitrophenyl]methylidene]-5-methylcyclohexane-1,3-dione IUPAC Name: 2-[hydroxy-[2-methyl-3-(3-methylbut-2-en-2-yl)-4-nitrophenyl]methylidene]-5-methylcyclohexane-1,3-dione Traditional Name: 2-[[3-(1,2-dimethylprop-1-enyl)-2-methyl-4-nitro-phenyl]-hydroxy-methylene]-5-methyl-cyclohexane-1,3-quinone Formula: C20H23NO5 MolecularWeight: 357.40032

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C(=C(C2=C(C(=C(C=C2)[N+](=O)[O-])C(=C(C)C)C)C)O)C(=O)C1

Isomeric SMILES

CC1CC(=O)C(=C(C2=C(C(=C(C=C2)[N+](=O)[O-])C(=C(C)C)C)C)O)C(=O)C1

InChI

InChI=1S/C20H23NO5/c1-10(2)12(4)18-13(5)14(6-7-15(18)21(25)26)20(24)19-16(22)8-11(3)9-17(19)23/h6-7,11,24H,8-9H2,1-5H3