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

Systemtic Name: 3-[1,3-bis(oxidanylidene)-5-(4-oxidanylidene-3,1-benzoxazin-2-yl)isoindol-2-yl]propanoic acid Openeye Name: 3-[1,3-dioxo-5-(4-oxo-3,1-benzoxazin-2-yl)isoindolin-2-yl]propanoic acid CAS Name: 3-[1,3-dioxo-5-(4-oxo-3,1-benzoxazin-2-yl)-2-isoindolyl]propanoic acid IUPAC Name: 3-[1,3-dioxo-5-(4-oxo-3,1-benzoxazin-2-yl)isoindol-2-yl]propanoic acid Traditional Name: 3-[1,3-diketo-5-(4-keto-3,1-benzoxazin-2-yl)isoindolin-2-yl]propionic acid Formula: C19H12N2O6 MolecularWeight: 364.30838

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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)CCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)OC(=N2)C3=CC4=C(C=C3)C(=O)N(C4=O)CCC(=O)O

InChI

InChI=1S/C19H12N2O6/c22-15(23)7-8-21-17(24)11-6-5-10(9-13(11)18(21)25)16-20-14-4-2-1-3-12(14)19(26)27-16/h1-6,9H,7-8H2,(H,22,23)