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

Systemtic Name: 3-[1,3-bis(oxidanylidene)-5-(4-oxidanylidene-3,1-benzoxazin-2-yl)isoindol-2-yl]benzoic acid Openeye Name: 3-[1,3-dioxo-5-(4-oxo-3,1-benzoxazin-2-yl)isoindolin-2-yl]benzoic acid CAS Name: 3-[1,3-dioxo-5-(4-oxo-3,1-benzoxazin-2-yl)-2-isoindolyl]benzoic acid IUPAC Name: 3-[1,3-dioxo-5-(4-oxo-3,1-benzoxazin-2-yl)isoindol-2-yl]benzoic acid Traditional Name: 3-[1,3-diketo-5-(4-keto-3,1-benzoxazin-2-yl)isoindolin-2-yl]benzoic acid Formula: C23H12N2O6 MolecularWeight: 412.35118

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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

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

InChI

InChI=1S/C23H12N2O6/c26-20-15-9-8-12(19-24-18-7-2-1-6-16(18)23(30)31-19)11-17(15)21(27)25(20)14-5-3-4-13(10-14)22(28)29/h1-11H,(H,28,29)