5,5-dimethyl-2-[(6-nitro-4-oxidanylidene-chromen-3-yl)methylidene]cyclohexane-1,3-dione

Systemtic Name: 5,5-dimethyl-2-[(6-nitro-4-oxidanylidene-chromen-3-yl)methylidene]cyclohexane-1,3-dione Openeye Name: 5,5-dimethyl-2-[(6-nitro-4-oxo-chromen-3-yl)methylene]cyclohexane-1,3-dione CAS Name: 5,5-dimethyl-2-[(6-nitro-4-oxo-1-benzopyran-3-yl)methylidene]cyclohexane-1,3-dione IUPAC Name: 5,5-dimethyl-2-[(6-nitro-4-oxochromen-3-yl)methylidene]cyclohexane-1,3-dione Traditional Name: 2-[(4-keto-6-nitro-chromen-3-yl)methylene]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C18H15NO6 MolecularWeight: 341.3148

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(=CC2=COC3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C(=O)C1)C

Isomeric SMILES

CC1(CC(=O)C(=CC2=COC3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C(=O)C1)C

InChI

InChI=1S/C18H15NO6/c1-18(2)7-14(20)12(15(21)8-18)5-10-9-25-16-4-3-11(19(23)24)6-13(16)17(10)22/h3-6,9H,7-8H2,1-2H3