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

Systemtic Name: 5-(6,7-dimethoxy-4-oxidanylidene-3,1-benzoxazin-2-yl)-2-(pyridin-3-ylmethyl)isoindole-1,3-dione Openeye Name: 5-(6,7-dimethoxy-4-oxo-3,1-benzoxazin-2-yl)-2-(3-pyridylmethyl)isoindoline-1,3-dione CAS Name: 5-(6,7-dimethoxy-4-oxo-3,1-benzoxazin-2-yl)-2-(3-pyridinylmethyl)isoindole-1,3-dione IUPAC Name: 5-(6,7-dimethoxy-4-oxo-3,1-benzoxazin-2-yl)-2-(pyridin-3-ylmethyl)isoindole-1,3-dione Traditional Name: 5-(4-keto-6,7-dimethoxy-3,1-benzoxazin-2-yl)-2-(3-pyridylmethyl)isoindoline-1,3-quinone Formula: C24H17N3O6 MolecularWeight: 443.40828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)OC(=N2)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CN=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)OC(=N2)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CN=CC=C5)OC

InChI

InChI=1S/C24H17N3O6/c1-31-19-9-17-18(10-20(19)32-2)26-21(33-24(17)30)14-5-6-15-16(8-14)23(29)27(22(15)28)12-13-4-3-7-25-11-13/h3-11H,12H2,1-2H3