(E)-but-2-enedioic acid; 1-(1,3-dihydroisoindol-2-yl)ethanone

Systemtic Name: (E)-but-2-enedioic acid; 1-(1,3-dihydroisoindol-2-yl)ethanone Openeye Name: fumaric acid; 1-isoindolin-2-ylethanone CAS Name: (E)-2-butenedioic acid; 1-(1,3-dihydroisoindol-2-yl)ethanone IUPAC Name: (E)-but-2-enedioic acid; 1-(1,3-dihydroisoindol-2-yl)ethanone Traditional Name: fumaric acid; 1-isoindolin-2-ylethanone Formula: C14H15NO5 MolecularWeight: 277.2726

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC2=CC=CC=C2C1.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(=O)N1CC2=CC=CC=C2C1.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C10H11NO.C4H4O4/c1-8(12)11-6-9-4-2-3-5-10(9)7-11;5-3(6)1-2-4(7)8/h2-5H,6-7H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+