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

Systemtic Name: 2-[1-(ethoxyamino)propylidene]-5-(6-nitro-1,3-benzodioxol-5-yl)cyclohexane-1,3-dione Openeye Name: 2-[1-(ethoxyamino)propylidene]-5-(6-nitro-1,3-benzodioxol-5-yl)cyclohexane-1,3-dione CAS Name: 2-[1-(ethoxyamino)propylidene]-5-(6-nitro-1,3-benzodioxol-5-yl)cyclohexane-1,3-dione IUPAC Name: 2-[1-(ethoxyamino)propylidene]-5-(6-nitro-1,3-benzodioxol-5-yl)cyclohexane-1,3-dione Traditional Name: 2-[1-(ethoxyamino)propylidene]-5-(6-nitro-1,3-benzodioxol-5-yl)cyclohexane-1,3-quinone Formula: C18H20N2O7 MolecularWeight: 376.3606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O7/c1-3-12(19-27-4-2)18-14(21)5-10(6-15(18)22)11-7-16-17(26-9-25-16)8-13(11)20(23)24/h7-8,10,19H,3-6,9H2,1-2H3