(E)-but-2-enedioic acid; 1-methyl-3-(4,5,6,7-tetrahydro-3H-benzimidazol-5-ylcarbonyl)benzimidazol-2-one

Systemtic Name: (E)-but-2-enedioic acid; 1-methyl-3-(4,5,6,7-tetrahydro-3H-benzimidazol-5-ylcarbonyl)benzimidazol-2-one Openeye Name: fumaric acid; 1-methyl-3-(4,5,6,7-tetrahydro-3H-benzimidazole-5-carbonyl)benzimidazol-2-one CAS Name: (E)-2-butenedioic acid; 1-methyl-3-[oxo(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methyl]-2-benzimidazolone IUPAC Name: (E)-but-2-enedioic acid; 1-methyl-3-(4,5,6,7-tetrahydro-3H-benzimidazole-5-carbonyl)benzimidazol-2-one Traditional Name: fumaric acid; 1-methyl-3-(4,5,6,7-tetrahydro-3H-benzimidazole-5-carbonyl)benzimidazol-2-one Formula: C20H20N4O6 MolecularWeight: 412.396

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=O)C(=O)C3CCC4=C(C3)NC=N4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=O)C(=O)C3CCC4=C(C3)NC=N4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H16N4O2.C4H4O4/c1-19-13-4-2-3-5-14(13)20(16(19)22)15(21)10-6-7-11-12(8-10)18-9-17-11;5-3(6)1-2-4(7)8/h2-5,9-10H,6-8H2,1H3,(H,17,18);1-2H,(H,5,6)(H,7,8)/b;2-1+