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

Systemtic Name: (E)-but-2-enedioic acid; N-(2-nitrophenyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide Openeye Name: fumaric acid; N-(2-nitrophenyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide CAS Name: (E)-2-butenedioic acid; N-(2-nitrophenyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide IUPAC Name: (E)-but-2-enedioic acid; N-(2-nitrophenyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide Traditional Name: fumaric acid; N-(2-nitrophenyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide Formula: C18H18N4O7 MolecularWeight: 402.35812

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CC1C(=O)NC3=CC=CC=C3[N+](=O)[O-])NC=N2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CC2=C(CC1C(=O)NC3=CC=CC=C3[N+](=O)[O-])NC=N2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H14N4O3.C4H4O4/c19-14(9-5-6-10-12(7-9)16-8-15-10)17-11-3-1-2-4-13(11)18(20)21;5-3(6)1-2-4(7)8/h1-4,8-9H,5-7H2,(H,15,16)(H,17,19);1-2H,(H,5,6)(H,7,8)/b;2-1+