3,5-bis[1,3-bis(oxidanylidene)-5-(4-oxidanylidene-3,1-benzoxazin-2-yl)isoindol-2-yl]benzoate

Systemtic Name: 3,5-bis[1,3-bis(oxidanylidene)-5-(4-oxidanylidene-3,1-benzoxazin-2-yl)isoindol-2-yl]benzoate Openeye Name: 3,5-bis[1,3-dioxo-5-(4-oxo-3,1-benzoxazin-2-yl)isoindolin-2-yl]benzoate CAS Name: 3,5-bis[1,3-dioxo-5-(4-oxo-3,1-benzoxazin-2-yl)-2-isoindolyl]benzoate IUPAC Name: 3,5-bis[1,3-dioxo-5-(4-oxo-3,1-benzoxazin-2-yl)isoindol-2-yl]benzoate Traditional Name: 3,5-bis[1,3-diketo-5-(4-keto-3,1-benzoxazin-2-yl)isoindolin-2-yl]benzoate Formula: C39H17N4O10- MolecularWeight: 701.57308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)OC(=N2)C3=CC4=C(C=C3)C(=O)N(C4=O)C5=CC(=CC(=C5)C(=O)[O-])N6C(=O)C7=C(C6=O)C=C(C=C7)C8=NC9=CC=CC=C9C(=O)O8

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)OC(=N2)C3=CC4=C(C=C3)C(=O)N(C4=O)C5=CC(=CC(=C5)C(=O)[O-])N6C(=O)C7=C(C6=O)C=C(C=C7)C8=NC9=CC=CC=C9C(=O)O8

InChI

InChI=1S/C39H18N4O10/c44-33-23-11-9-18(31-40-29-7-3-1-5-25(29)38(50)52-31)15-27(23)35(46)42(33)21-13-20(37(48)49)14-22(17-21)43-34(45)24-12-10-19(16-28(24)36(43)47)32-41-30-8-4-2-6-26(30)39(51)53-32/h1-17H,(H,48,49)/p-1