(E)-but-2-enedioic acid; 3-[2-(3-methyl-2H-1,4-benzodioxin-3-yl)-2-oxidanyl-ethyl]-1H-benzimidazol-2-one

Systemtic Name: (E)-but-2-enedioic acid; 3-[2-(3-methyl-2H-1,4-benzodioxin-3-yl)-2-oxidanyl-ethyl]-1H-benzimidazol-2-one Openeye Name: fumaric acid; 3-[2-hydroxy-2-(3-methyl-2H-1,4-benzodioxin-3-yl)ethyl]-1H-benzimidazol-2-one CAS Name: (E)-2-butenedioic acid; 3-[2-hydroxy-2-(3-methyl-2H-1,4-benzodioxin-3-yl)ethyl]-1H-benzimidazol-2-one IUPAC Name: (E)-but-2-enedioic acid; 3-[2-hydroxy-2-(3-methyl-2H-1,4-benzodioxin-3-yl)ethyl]-1H-benzimidazol-2-one Traditional Name: fumaric acid; 3-[2-hydroxy-2-(3-methyl-2H-1,4-benzodioxin-3-yl)ethyl]-1H-benzimidazol-2-one Formula: C22H22N2O8 MolecularWeight: 442.41868

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=CC=CC=C2O1)C(CN3C4=CC=CC=C4NC3=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1(COC2=CC=CC=C2O1)C(CN3C4=CC=CC=C4NC3=O)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H18N2O4.C4H4O4/c1-18(11-23-14-8-4-5-9-15(14)24-18)16(21)10-20-13-7-3-2-6-12(13)19-17(20)22;5-3(6)1-2-4(7)8/h2-9,16,21H,10-11H2,1H3,(H,19,22);1-2H,(H,5,6)(H,7,8)/b;2-1+