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

Systemtic Name: 2-(2,5-dimethoxyphenyl)-5-(4-oxidanylidene-3,1-benzoxazin-2-yl)isoindole-1,3-dione Openeye Name: 2-(2,5-dimethoxyphenyl)-5-(4-oxo-3,1-benzoxazin-2-yl)isoindoline-1,3-dione CAS Name: 2-(2,5-dimethoxyphenyl)-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione IUPAC Name: 2-(2,5-dimethoxyphenyl)-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione Traditional Name: 2-(2,5-dimethoxyphenyl)-5-(4-keto-3,1-benzoxazin-2-yl)isoindoline-1,3-quinone Formula: C24H16N2O6 MolecularWeight: 428.39364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)N2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=CC=CC=C5C(=O)O4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)N2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=CC=CC=C5C(=O)O4

InChI

InChI=1S/C24H16N2O6/c1-30-14-8-10-20(31-2)19(12-14)26-22(27)15-9-7-13(11-17(15)23(26)28)21-25-18-6-4-3-5-16(18)24(29)32-21/h3-12H,1-2H3