(2E)-2-[(1'aS,7'aS)-7'a-ethynyl-3'-[(4-methoxyphenyl)methyl]-4'-oxidanylidene-spiro[1,3-dioxolane-2,2'-1a,6-dihydrooxireno[2,3-g][3,1]benzoxazine]-7'-ylidene]ethanenitrile

Systemtic Name: (2E)-2-[(1'aS,7'aS)-7'a-ethynyl-3'-[(4-methoxyphenyl)methyl]-4'-oxidanylidene-spiro[1,3-dioxolane-2,2'-1a,6-dihydrooxireno[2,3-g][3,1]benzoxazine]-7'-ylidene]ethanenitrile Openeye Name: (2E)-2-[(1'aS,7'aS)-7'a-ethynyl-3'-[(4-methoxyphenyl)methyl]-4'-oxo-spiro[1,3-dioxolane-2,2'-1a,6-dihydrooxireno[2,3-g][3,1]benzoxazine]-7'-ylidene]acetonitrile CAS Name: (2E)-2-[(1'aS,7'aS)-7'a-ethynyl-3'-[(4-methoxyphenyl)methyl]-4'-oxo-7'-spiro[1,3-dioxolane-2,2'-1a,6-dihydrooxireno[2,3-g][3,1]benzoxazine]ylidene]acetonitrile IUPAC Name: (2E)-2-[(1'aS,7'aS)-7'a-ethynyl-3'-[(4-methoxyphenyl)methyl]-4'-oxospiro[1,3-dioxolane-2,2'-1a,6-dihydrooxireno[2,3-g][3,1]benzoxazine]-7'-ylidene]acetonitrile Traditional Name: (2E)-2-[(1'aS,7'aS)-7'a-ethynyl-4'-keto-3'-p-anisyl-spiro[1,3-dioxolane-2,2'-1a,6-dihydrooxireno[2,3-g][3,1]benzoxazine]-7'-ylidene]acetonitrile Formula: C22H18N2O6 MolecularWeight: 406.38812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C3=C(COC2=O)C(=CC#N)C4(C(C35OCCO5)O4)C#C

Isomeric SMILES

COC1=CC=C(C=C1)CN2C3=C(COC2=O)/C(=C\C#N)/[C@]4([C@@H](C35OCCO5)O4)C#C

InChI

InChI=1S/C22H18N2O6/c1-3-21-17(8-9-23)16-13-27-20(25)24(12-14-4-6-15(26-2)7-5-14)18(16)22(19(21)30-21)28-10-11-29-22/h1,4-8,19H,10-13H2,2H3/b17-8+/t19-,21-/m0/s1