(E)-but-2-enedioic acid; 2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindole

Systemtic Name: (E)-but-2-enedioic acid; 2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindole Openeye Name: 2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-indoline; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindole IUPAC Name: (E)-but-2-enedioic acid; 2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindole Traditional Name: fumaric acid; 2-(2-imidazolin-2-yl)-1-methyl-indoline Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(CC2=CC=CC=C21)C3=NCCN3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1C(CC2=CC=CC=C21)C3=NCCN3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H15N3.C4H4O4/c1-15-10-5-3-2-4-9(10)8-11(15)12-13-6-7-14-12;5-3(6)1-2-4(7)8/h2-5,11H,6-8H2,1H3,(H,13,14);1-2H,(H,5,6)(H,7,8)/b;2-1+