(E)-but-2-enedioic acid; [1-(3,4-dichlorophenyl)imidazol-4-yl]methanamine

Systemtic Name: (E)-but-2-enedioic acid; [1-(3,4-dichlorophenyl)imidazol-4-yl]methanamine Openeye Name: [1-(3,4-dichlorophenyl)imidazol-4-yl]methanamine; fumaric acid CAS Name: (E)-2-butenedioic acid; [1-(3,4-dichlorophenyl)-4-imidazolyl]methanamine IUPAC Name: (E)-but-2-enedioic acid; [1-(3,4-dichlorophenyl)imidazol-4-yl]methanamine Traditional Name: [1-(3,4-dichlorophenyl)imidazol-4-yl]methylamine; fumaric acid Formula: C14H13Cl2N3O4 MolecularWeight: 358.17672

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N2C=C(N=C2)CN)Cl)Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1N2C=C(N=C2)CN)Cl)Cl.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C10H9Cl2N3.C4H4O4/c11-9-2-1-8(3-10(9)12)15-5-7(4-13)14-6-15;5-3(6)1-2-4(7)8/h1-3,5-6H,4,13H2;1-2H,(H,5,6)(H,7,8)/b;2-1+