(2Z)-2-[6'-(hydroxymethyl)-1'-[(4-methoxyphenyl)methyl]-2'-oxidanylidene-spiro[1,3-dioxolane-2,8'-4H-3,1-benzoxazine]-5'-ylidene]ethanenitrile

Systemtic Name: (2Z)-2-[6'-(hydroxymethyl)-1'-[(4-methoxyphenyl)methyl]-2'-oxidanylidene-spiro[1,3-dioxolane-2,8'-4H-3,1-benzoxazine]-5'-ylidene]ethanenitrile Openeye Name: (2Z)-2-[6'-(hydroxymethyl)-1'-[(4-methoxyphenyl)methyl]-2'-oxo-spiro[1,3-dioxolane-2,8'-4H-3,1-benzoxazine]-5'-ylidene]acetonitrile CAS Name: (2Z)-2-[6'-(hydroxymethyl)-1'-[(4-methoxyphenyl)methyl]-2'-oxo-5'-spiro[1,3-dioxolane-2,8'-4H-3,1-benzoxazine]ylidene]acetonitrile IUPAC Name: (2Z)-2-[6'-(hydroxymethyl)-1'-[(4-methoxyphenyl)methyl]-2'-oxospiro[1,3-dioxolane-2,8'-4H-3,1-benzoxazine]-5'-ylidene]acetonitrile Traditional Name: (2Z)-2-(2'-keto-6'-methylol-1'-p-anisyl-spiro[1,3-dioxolane-2,8'-4H-3,1-benzoxazine]-5'-ylidene)acetonitrile Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C3=C(COC2=O)C(=CC#N)C(=CC34OCCO4)CO

Isomeric SMILES

COC1=CC=C(C=C1)CN2C3=C(COC2=O)/C(=C\C#N)/C(=CC34OCCO4)CO

InChI

InChI=1S/C21H20N2O6/c1-26-16-4-2-14(3-5-16)11-23-19-18(13-27-20(23)25)17(6-7-22)15(12-24)10-21(19)28-8-9-29-21/h2-6,10,24H,8-9,11-13H2,1H3/b17-6-