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

Systemtic Name: (E)-but-2-enedioic acid; 3-(4,5,6,7-tetrahydro-3H-benzimidazol-5-ylcarbonyl)-1H-benzimidazol-2-one Openeye Name: fumaric acid; 3-(4,5,6,7-tetrahydro-3H-benzimidazole-5-carbonyl)-1H-benzimidazol-2-one CAS Name: (E)-2-butenedioic acid; 3-[oxo(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methyl]-1H-benzimidazol-2-one IUPAC Name: (E)-but-2-enedioic acid; 3-(4,5,6,7-tetrahydro-3H-benzimidazole-5-carbonyl)-1H-benzimidazol-2-one Traditional Name: fumaric acid; 3-(4,5,6,7-tetrahydro-3H-benzimidazole-5-carbonyl)-1H-benzimidazol-2-one Formula: C19H18N4O6 MolecularWeight: 398.36942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CC1C(=O)N3C4=CC=CC=C4NC3=O)NC=N2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CC2=C(CC1C(=O)N3C4=CC=CC=C4NC3=O)NC=N2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H14N4O2.C4H4O4/c20-14(9-5-6-10-12(7-9)17-8-16-10)19-13-4-2-1-3-11(13)18-15(19)21;5-3(6)1-2-4(7)8/h1-4,8-9H,5-7H2,(H,16,17)(H,18,21);1-2H,(H,5,6)(H,7,8)/b;2-1+