(E)-but-2-enedioic acid; N-(3-methylbut-2-enyl)-4,5-dihydro-1H-imidazol-2-amine

Systemtic Name: (E)-but-2-enedioic acid; N-(3-methylbut-2-enyl)-4,5-dihydro-1H-imidazol-2-amine Openeye Name: fumaric acid; N-(3-methylbut-2-enyl)-4,5-dihydro-1H-imidazol-2-amine CAS Name: (E)-2-butenedioic acid; N-(3-methylbut-2-enyl)-4,5-dihydro-1H-imidazol-2-amine IUPAC Name: (E)-but-2-enedioic acid; N-(3-methylbut-2-enyl)-4,5-dihydro-1H-imidazol-2-amine Traditional Name: fumaric acid; 2-imidazolin-2-yl(3-methylbut-2-enyl)amine Formula: C12H19N3O4 MolecularWeight: 269.29696

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCNC1=NCCN1)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(=CCNC1=NCCN1)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C8H15N3.C4H4O4/c1-7(2)3-4-9-8-10-5-6-11-8;5-3(6)1-2-4(7)8/h3H,4-6H2,1-2H3,(H2,9,10,11);1-2H,(H,5,6)(H,7,8)/b;2-1+