(E)-but-2-enedioic acid; (6-chloranylpyridin-2-yl)-(4,5-dihydro-1H-imidazol-2-yl)-phenyl-methanol

Systemtic Name: (E)-but-2-enedioic acid; (6-chloranylpyridin-2-yl)-(4,5-dihydro-1H-imidazol-2-yl)-phenyl-methanol Openeye Name: (6-chloro-2-pyridyl)-(4,5-dihydro-1H-imidazol-2-yl)-phenyl-methanol; fumaric acid CAS Name: (E)-2-butenedioic acid; (6-chloro-2-pyridinyl)-(4,5-dihydro-1H-imidazol-2-yl)-phenylmethanol IUPAC Name: (E)-but-2-enedioic acid; (6-chloropyridin-2-yl)-(4,5-dihydro-1H-imidazol-2-yl)-phenylmethanol Traditional Name: (6-chloro-2-pyridyl)-(2-imidazolin-2-yl)-phenyl-methanol; fumaric acid Formula: C19H18ClN3O5 MolecularWeight: 403.81632

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(N1)C(C2=CC=CC=C2)(C3=NC(=CC=C3)Cl)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN=C(N1)C(C2=CC=CC=C2)(C3=NC(=CC=C3)Cl)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H14ClN3O.C4H4O4/c16-13-8-4-7-12(19-13)15(20,14-17-9-10-18-14)11-5-2-1-3-6-11;5-3(6)1-2-4(7)8/h1-8,20H,9-10H2,(H,17,18);1-2H,(H,5,6)(H,7,8)/b;2-1+