(E)-but-2-enedioic acid; N-methyl-N-(5-methyl-1H-imidazol-4-yl)-1H-indole-3-carboxamide

Systemtic Name: (E)-but-2-enedioic acid; N-methyl-N-(5-methyl-1H-imidazol-4-yl)-1H-indole-3-carboxamide Openeye Name: fumaric acid; N-methyl-N-(5-methyl-1H-imidazol-4-yl)-1H-indole-3-carboxamide CAS Name: (E)-2-butenedioic acid; N-methyl-N-(5-methyl-1H-imidazol-4-yl)-1H-indole-3-carboxamide IUPAC Name: (E)-but-2-enedioic acid; N-methyl-N-(5-methyl-1H-imidazol-4-yl)-1H-indole-3-carboxamide Traditional Name: fumaric acid; N-methyl-N-(5-methyl-1H-imidazol-4-yl)-1H-indole-3-carboxamide Formula: C18H18N4O5 MolecularWeight: 370.35932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)N(C)C(=O)C2=CNC3=CC=CC=C32.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(N=CN1)N(C)C(=O)C2=CNC3=CC=CC=C32.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H14N4O.C4H4O4/c1-9-13(17-8-16-9)18(2)14(19)11-7-15-12-6-4-3-5-10(11)12;5-3(6)1-2-4(7)8/h3-8,15H,1-2H3,(H,16,17);1-2H,(H,5,6)(H,7,8)/b;2-1+