(E)-but-2-enedioic acid; N-phenyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

Systemtic Name: (E)-but-2-enedioic acid; N-phenyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide Openeye Name: fumaric acid; N-phenyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide CAS Name: (E)-2-butenedioic acid; N-phenyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide IUPAC Name: (E)-but-2-enedioic acid; N-phenyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide Traditional Name: fumaric acid; N-phenyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide Formula: C18H19N3O5 MolecularWeight: 357.36056

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CC1C(=O)NC3=CC=CC=C3)NC=N2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CC2=C(CC1C(=O)NC3=CC=CC=C3)NC=N2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H15N3O.C4H4O4/c18-14(17-11-4-2-1-3-5-11)10-6-7-12-13(8-10)16-9-15-12;5-3(6)1-2-4(7)8/h1-5,9-10H,6-8H2,(H,15,16)(H,17,18);1-2H,(H,5,6)(H,7,8)/b;2-1+