(E)-but-2-enedioic acid; 3-methyl-4,5,6,7-tetrahydrobenzimidazole-5-carboxamide

Systemtic Name: (E)-but-2-enedioic acid; 3-methyl-4,5,6,7-tetrahydrobenzimidazole-5-carboxamide Openeye Name: fumaric acid; 3-methyl-4,5,6,7-tetrahydrobenzimidazole-5-carboxamide CAS Name: (E)-2-butenedioic acid; 3-methyl-4,5,6,7-tetrahydrobenzimidazole-5-carboxamide IUPAC Name: (E)-but-2-enedioic acid; 3-methyl-4,5,6,7-tetrahydrobenzimidazole-5-carboxamide Traditional Name: fumaric acid; 3-methyl-4,5,6,7-tetrahydrobenzimidazole-5-carboxamide Formula: C13H17N3O5 MolecularWeight: 295.29118

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1CC(CC2)C(=O)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1C=NC2=C1CC(CC2)C(=O)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C9H13N3O.C4H4O4/c1-12-5-11-7-3-2-6(9(10)13)4-8(7)12;5-3(6)1-2-4(7)8/h5-6H,2-4H2,1H3,(H2,10,13);1-2H,(H,5,6)(H,7,8)/b;2-1+