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2-[(6-nitro-1,3-benzodioxol-5-yl)-oxidanyl-methylidene]cyclohexane-1,3-dione

2-[(6-nitro-1,3-benzodioxol-5-yl)-oxidanyl-methylidene]cyclohexane-1,3-dione

Systemtic Name:2-[(6-nitro-1,3-benzodioxol-5-yl)-oxidanyl-methylidene]cyclohexane-1,3-dione
Openeye Name:2-[hydroxy-(6-nitro-1,3-benzodioxol-5-yl)methylene]cyclohexane-1,3-dione
CAS Name:2-[hydroxy-(6-nitro-1,3-benzodioxol-5-yl)methylidene]cyclohexane-1,3-dione
IUPAC Name:2-[hydroxy-(6-nitro-1,3-benzodioxol-5-yl)methylidene]cyclohexane-1,3-dione
Traditional Name:2-[hydroxy-(6-nitro-1,3-benzodioxol-5-yl)methylene]cyclohexane-1,3-quinone
Formula: C14H11NO7
MolecularWeight: 305.23964
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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(=C(C2=CC3=C(C=C2[N+](=O)[O-])OCO3)O)C(=O)C1


Isomeric SMILES

C1CC(=O)C(=C(C2=CC3=C(C=C2[N+](=O)[O-])OCO3)O)C(=O)C1


InChI

InChI=1S/C14H11NO7/c16-9-2-1-3-10(17)13(9)14(18)7-4-11-12(22-6-21-11)5-8(7)15(19)20/h4-5,18H,1-3,6H2


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