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

Systemtic Name: N-[1-(dioxidanyl)-2-phenyl-ethyl]-4-methoxy-3-methoxycarbonyl-4-oxidanylidene-1-phenyl-but-2-en-1-imine oxide Openeye Name: N-(1-hydroperoxy-2-phenyl-ethyl)-4-methoxy-3-methoxycarbonyl-4-oxo-1-phenyl-but-2-en-1-imine oxide CAS Name: N-(1-hydroperoxy-2-phenylethyl)-4-methoxy-3-methoxycarbonyl-4-oxo-1-phenyl-2-buten-1-imine oxide IUPAC Name: N-(1-hydroperoxy-2-phenylethyl)-4-methoxy-3-methoxycarbonyl-4-oxo-1-phenylbut-2-en-1-imine oxide Traditional Name: 3-carbomethoxy-N-(1-hydroperoxy-2-phenyl-ethyl)-4-keto-4-methoxy-1-phenyl-but-2-en-1-imine oxide Formula: C21H21NO7 MolecularWeight: 399.39394

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC(=[N+](C(CC1=CC=CC=C1)OO)[O-])C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

COC(=O)C(=C/C(=[N+](/C(CC1=CC=CC=C1)OO)\[O-])/C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C21H21NO7/c1-27-20(23)17(21(24)28-2)14-18(16-11-7-4-8-12-16)22(25)19(29-26)13-15-9-5-3-6-10-15/h3-12,14,19,26H,13H2,1-2H3/b22-18+