(E)-but-2-enedioic acid; 4-imidazol-1-ylbutan-1-amine

Systemtic Name: (E)-but-2-enedioic acid; 4-imidazol-1-ylbutan-1-amine Openeye Name: fumaric acid; 4-imidazol-1-ylbutan-1-amine CAS Name: (E)-2-butenedioic acid; 4-(1-imidazolyl)-1-butanamine IUPAC Name: (E)-but-2-enedioic acid; 4-imidazol-1-ylbutan-1-amine Traditional Name: fumaric acid; 4-imidazol-1-ylbutylamine Formula: C11H17N3O4 MolecularWeight: 255.27038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)CCCCN.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CN(C=N1)CCCCN.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C7H13N3.C4H4O4/c8-3-1-2-5-10-6-4-9-7-10;5-3(6)1-2-4(7)8/h4,6-7H,1-3,5,8H2;1-2H,(H,5,6)(H,7,8)/b;2-1+