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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-3-(1,3-dioxoisoindolin-2-yl)propanoic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-3-(1,3-dioxo-2-isoindolyl)propanoic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-3-(1,3-dioxoisoindol-2-yl)propanoic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-3-phthalimido-propionic acid Formula: C18H13NO6 MolecularWeight: 339.29892

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(CC(=O)O)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(CC(=O)O)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C18H13NO6/c20-16(21)8-13(10-5-6-14-15(7-10)25-9-24-14)19-17(22)11-3-1-2-4-12(11)18(19)23/h1-7,13H,8-9H2,(H,20,21)