N-[1-(dioxidanyl)heptyl]-4-methoxy-3-methoxycarbonyl-4-oxidanylidene-1-phenyl-but-2-en-1-imine oxide

Systemtic Name: N-[1-(dioxidanyl)heptyl]-4-methoxy-3-methoxycarbonyl-4-oxidanylidene-1-phenyl-but-2-en-1-imine oxide Openeye Name: N-(1-hydroperoxyheptyl)-4-methoxy-3-methoxycarbonyl-4-oxo-1-phenyl-but-2-en-1-imine oxide CAS Name: N-(1-hydroperoxyheptyl)-4-methoxy-3-methoxycarbonyl-4-oxo-1-phenyl-2-buten-1-imine oxide IUPAC Name: N-(1-hydroperoxyheptyl)-4-methoxy-3-methoxycarbonyl-4-oxo-1-phenylbut-2-en-1-imine oxide Traditional Name: 3-carbomethoxy-N-(1-hydroperoxyheptyl)-4-keto-4-methoxy-1-phenyl-but-2-en-1-imine oxide Formula: C20H27NO7 MolecularWeight: 393.43088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC([N+](=C(C=C(C(=O)OC)C(=O)OC)C1=CC=CC=C1)[O-])OO

Isomeric SMILES

CCCCCCC(/[N+](=C(/C=C(C(=O)OC)C(=O)OC)\C1=CC=CC=C1)/[O-])OO

InChI

InChI=1S/C20H27NO7/c1-4-5-6-10-13-18(28-25)21(24)17(15-11-8-7-9-12-15)14-16(19(22)26-2)20(23)27-3/h7-9,11-12,14,18,25H,4-6,10,13H2,1-3H3/b21-17+