2-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-oxidanylidene-3,1-benzoxazin-2-yl)isoindole-1,3-dione

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-oxidanylidene-3,1-benzoxazin-2-yl)isoindole-1,3-dione Openeye Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-oxo-3,1-benzoxazin-2-yl)isoindoline-1,3-dione CAS Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione Traditional Name: 2-homoveratryl-5-(4-keto-3,1-benzoxazin-2-yl)isoindoline-1,3-quinone Formula: C26H20N2O6 MolecularWeight: 456.4468

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=CC=CC=C5C(=O)O4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=CC=CC=C5C(=O)O4)OC

InChI

InChI=1S/C26H20N2O6/c1-32-21-10-7-15(13-22(21)33-2)11-12-28-24(29)17-9-8-16(14-19(17)25(28)30)23-27-20-6-4-3-5-18(20)26(31)34-23/h3-10,13-14H,11-12H2,1-2H3