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

Systemtic Name: 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]cyclohexane-1,3-dione CAS Name: 2-[hydroxy-[2-methyl-3-(3-methylbut-2-en-2-yl)-4-nitrophenyl]methylidene]cyclohexane-1,3-dione IUPAC Name: 2-[hydroxy-[2-methyl-3-(3-methylbut-2-en-2-yl)-4-nitrophenyl]methylidene]cyclohexane-1,3-dione Traditional Name: 2-[[3-(1,2-dimethylprop-1-enyl)-2-methyl-4-nitro-phenyl]-hydroxy-methylene]cyclohexane-1,3-quinone Formula: C19H21NO5 MolecularWeight: 343.37374

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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)CCCC2=O)O

Isomeric SMILES

CC1=C(C=CC(=C1C(=C(C)C)C)[N+](=O)[O-])C(=C2C(=O)CCCC2=O)O

InChI

InChI=1S/C19H21NO5/c1-10(2)11(3)17-12(4)13(8-9-14(17)20(24)25)19(23)18-15(21)6-5-7-16(18)22/h8-9,23H,5-7H2,1-4H3