5-(6-nitro-1,3-benzodioxol-5-yl)-2-(1-oxidanylpropylidene)cyclohexane-1,3-dione

Systemtic Name: 5-(6-nitro-1,3-benzodioxol-5-yl)-2-(1-oxidanylpropylidene)cyclohexane-1,3-dione Openeye Name: 2-(1-hydroxypropylidene)-5-(6-nitro-1,3-benzodioxol-5-yl)cyclohexane-1,3-dione CAS Name: 2-(1-hydroxypropylidene)-5-(6-nitro-1,3-benzodioxol-5-yl)cyclohexane-1,3-dione IUPAC Name: 2-(1-hydroxypropylidene)-5-(6-nitro-1,3-benzodioxol-5-yl)cyclohexane-1,3-dione Traditional Name: 2-(1-hydroxypropylidene)-5-(6-nitro-1,3-benzodioxol-5-yl)cyclohexane-1,3-quinone Formula: C16H15NO7 MolecularWeight: 333.2928

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C(=O)CC(CC1=O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3)O

Isomeric SMILES

CCC(=C1C(=O)CC(CC1=O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3)O

InChI

InChI=1S/C16H15NO7/c1-2-11(18)16-12(19)3-8(4-13(16)20)9-5-14-15(24-7-23-14)6-10(9)17(21)22/h5-6,8,18H,2-4,7H2,1H3