(E)-but-2-enedioic acid; 5-chloranyl-3-(1-imidazol-1-ylpropyl)-1,2-benzoxazole

Systemtic Name: (E)-but-2-enedioic acid; 5-chloranyl-3-(1-imidazol-1-ylpropyl)-1,2-benzoxazole Openeye Name: 5-chloro-3-(1-imidazol-1-ylpropyl)-1,2-benzoxazole; fumaric acid CAS Name: (E)-2-butenedioic acid; 5-chloro-3-[1-(1-imidazolyl)propyl]-1,2-benzoxazole IUPAC Name: (E)-but-2-enedioic acid; 5-chloro-3-(1-imidazol-1-ylpropyl)-1,2-benzoxazole Traditional Name: 5-chloro-3-(1-imidazol-1-ylpropyl)indoxazene; fumaric acid Formula: C17H16ClN3O5 MolecularWeight: 377.77904

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NOC2=C1C=C(C=C2)Cl)N3C=CN=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCC(C1=NOC2=C1C=C(C=C2)Cl)N3C=CN=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H12ClN3O.C4H4O4/c1-2-11(17-6-5-15-8-17)13-10-7-9(14)3-4-12(10)18-16-13;5-3(6)1-2-4(7)8/h3-8,11H,2H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+