(E)-but-2-enedioic acid; 5-(1H-inden-2-ylmethyl)-4,5-dihydro-1H-imidazole

Systemtic Name: (E)-but-2-enedioic acid; 5-(1H-inden-2-ylmethyl)-4,5-dihydro-1H-imidazole Openeye Name: fumaric acid; 5-(1H-inden-2-ylmethyl)-4,5-dihydro-1H-imidazole CAS Name: (E)-2-butenedioic acid; 5-(1H-inden-2-ylmethyl)-4,5-dihydro-1H-imidazole IUPAC Name: (E)-but-2-enedioic acid; 5-(1H-inden-2-ylmethyl)-4,5-dihydro-1H-imidazole Traditional Name: fumaric acid; 4-(1H-inden-2-ylmethyl)-2-imidazoline Formula: C17H18N2O4 MolecularWeight: 314.33582

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC=N1)CC2=CC3=CC=CC=C3C2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1C(NC=N1)CC2=CC3=CC=CC=C3C2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H14N2.C4H4O4/c1-2-4-12-6-10(5-11(12)3-1)7-13-8-14-9-15-13;5-3(6)1-2-4(7)8/h1-5,9,13H,6-8H2,(H,14,15);1-2H,(H,5,6)(H,7,8)/b;2-1+