(E)-but-2-enedioic acid; 5-[(8-chloranylnaphthalen-2-yl)methyl]-4,5-dihydro-1H-imidazole

Systemtic Name: (E)-but-2-enedioic acid; 5-[(8-chloranylnaphthalen-2-yl)methyl]-4,5-dihydro-1H-imidazole Openeye Name: 5-[(8-chloro-2-naphthyl)methyl]-4,5-dihydro-1H-imidazole; fumaric acid CAS Name: (E)-2-butenedioic acid; 5-[(8-chloro-2-naphthalenyl)methyl]-4,5-dihydro-1H-imidazole IUPAC Name: (E)-but-2-enedioic acid; 5-[(8-chloronaphthalen-2-yl)methyl]-4,5-dihydro-1H-imidazole Traditional Name: 4-[(8-chloro-2-naphthyl)methyl]-2-imidazoline; fumaric acid Formula: C18H17ClN2O4 MolecularWeight: 360.79158

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC=N1)CC2=CC3=C(C=CC=C3Cl)C=C2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1C(NC=N1)CC2=CC3=C(C=CC=C3Cl)C=C2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H13ClN2.C4H4O4/c15-14-3-1-2-11-5-4-10(7-13(11)14)6-12-8-16-9-17-12;5-3(6)1-2-4(7)8/h1-5,7,9,12H,6,8H2,(H,16,17);1-2H,(H,5,6)(H,7,8)/b;2-1+