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

Systemtic Name: N-[cyclohexyl(dioxidanyl)methyl]-4-methoxy-3-methoxycarbonyl-4-oxidanylidene-1-phenyl-but-2-en-1-imine oxide Openeye Name: N-[cyclohexyl(hydroperoxy)methyl]-4-methoxy-3-methoxycarbonyl-4-oxo-1-phenyl-but-2-en-1-imine oxide CAS Name: N-[cyclohexyl(hydroperoxy)methyl]-4-methoxy-3-methoxycarbonyl-4-oxo-1-phenyl-2-buten-1-imine oxide IUPAC Name: N-[cyclohexyl(hydroperoxy)methyl]-4-methoxy-3-methoxycarbonyl-4-oxo-1-phenylbut-2-en-1-imine oxide Traditional Name: 3-carbomethoxy-N-[cyclohexyl(hydroperoxy)methyl]-4-keto-4-methoxy-1-phenyl-but-2-en-1-imine oxide Formula: C20H25NO7 MolecularWeight: 391.415

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC(=[N+](C(C1CCCCC1)OO)[O-])C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

COC(=O)C(=C/C(=[N+](/C(C1CCCCC1)OO)\[O-])/C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C20H25NO7/c1-26-19(22)16(20(23)27-2)13-17(14-9-5-3-6-10-14)21(24)18(28-25)15-11-7-4-8-12-15/h3,5-6,9-10,13,15,18,25H,4,7-8,11-12H2,1-2H3/b21-17+