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

Systemtic Name: 3-[5-(3-acetamidophenoxy)-1,3-bis(oxidanylidene)isoindol-2-yl]propanoic acid Openeye Name: 3-[5-(3-acetamidophenoxy)-1,3-dioxo-isoindolin-2-yl]propanoic acid CAS Name: 3-[5-(3-acetamidophenoxy)-1,3-dioxo-2-isoindolyl]propanoic acid IUPAC Name: 3-[5-(3-acetamidophenoxy)-1,3-dioxoisoindol-2-yl]propanoic acid Traditional Name: 3-[5-(3-acetamidophenoxy)-1,3-diketo-isoindolin-2-yl]propionic acid Formula: C19H16N2O6 MolecularWeight: 368.34014

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)OC2=CC3=C(C=C2)C(=O)N(C3=O)CCC(=O)O

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)OC2=CC3=C(C=C2)C(=O)N(C3=O)CCC(=O)O

InChI

InChI=1S/C19H16N2O6/c1-11(22)20-12-3-2-4-13(9-12)27-14-5-6-15-16(10-14)19(26)21(18(15)25)8-7-17(23)24/h2-6,9-10H,7-8H2,1H3,(H,20,22)(H,23,24)