5-(6,7-dimethoxy-4-oxidanylidene-3,1-benzoxazin-2-yl)-2-(3-methoxyphenyl)isoindole-1,3-dione

Systemtic Name: 5-(6,7-dimethoxy-4-oxidanylidene-3,1-benzoxazin-2-yl)-2-(3-methoxyphenyl)isoindole-1,3-dione Openeye Name: 5-(6,7-dimethoxy-4-oxo-3,1-benzoxazin-2-yl)-2-(3-methoxyphenyl)isoindoline-1,3-dione CAS Name: 5-(6,7-dimethoxy-4-oxo-3,1-benzoxazin-2-yl)-2-(3-methoxyphenyl)isoindole-1,3-dione IUPAC Name: 5-(6,7-dimethoxy-4-oxo-3,1-benzoxazin-2-yl)-2-(3-methoxyphenyl)isoindole-1,3-dione Traditional Name: 5-(4-keto-6,7-dimethoxy-3,1-benzoxazin-2-yl)-2-(3-methoxyphenyl)isoindoline-1,3-quinone Formula: C25H18N2O7 MolecularWeight: 458.41962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H18N2O7/c1-31-15-6-4-5-14(10-15)27-23(28)16-8-7-13(9-17(16)24(27)29)22-26-19-12-21(33-3)20(32-2)11-18(19)25(30)34-22/h4-12H,1-3H3