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

Systemtic Name: (E)-but-2-enedioic acid; 6-methoxy-3-(4,5,6,7-tetrahydro-3H-benzimidazol-5-ylcarbonyl)-1H-benzimidazol-2-one Openeye Name: fumaric acid; 6-methoxy-3-(4,5,6,7-tetrahydro-3H-benzimidazole-5-carbonyl)-1H-benzimidazol-2-one CAS Name: (E)-2-butenedioic acid; 6-methoxy-3-[oxo(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methyl]-1H-benzimidazol-2-one IUPAC Name: (E)-but-2-enedioic acid; 6-methoxy-3-(4,5,6,7-tetrahydro-3H-benzimidazole-5-carbonyl)-1H-benzimidazol-2-one Traditional Name: fumaric acid; 6-methoxy-3-(4,5,6,7-tetrahydro-3H-benzimidazole-5-carbonyl)-1H-benzimidazol-2-one Formula: C20H20N4O7 MolecularWeight: 428.3954

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=O)N2)C(=O)C3CCC4=C(C3)NC=N4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=O)N2)C(=O)C3CCC4=C(C3)NC=N4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H16N4O3.C4H4O4/c1-23-10-3-5-14-13(7-10)19-16(22)20(14)15(21)9-2-4-11-12(6-9)18-8-17-11;5-3(6)1-2-4(7)8/h3,5,7-9H,2,4,6H2,1H3,(H,17,18)(H,19,22);1-2H,(H,5,6)(H,7,8)/b;2-1+