(E)-but-2-enedioic acid; N-(4,7-dimethyl-1,3-benzodioxol-5-yl)-4,5-dihydro-1H-imidazol-2-amine

Systemtic Name: (E)-but-2-enedioic acid; N-(4,7-dimethyl-1,3-benzodioxol-5-yl)-4,5-dihydro-1H-imidazol-2-amine Openeye Name: N-(4,7-dimethyl-1,3-benzodioxol-5-yl)-4,5-dihydro-1H-imidazol-2-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; N-(4,7-dimethyl-1,3-benzodioxol-5-yl)-4,5-dihydro-1H-imidazol-2-amine IUPAC Name: (E)-but-2-enedioic acid; N-(4,7-dimethyl-1,3-benzodioxol-5-yl)-4,5-dihydro-1H-imidazol-2-amine Traditional Name: (4,7-dimethyl-1,3-benzodioxol-5-yl)-(2-imidazolin-2-yl)amine; fumaric acid Formula: C16H19N3O6 MolecularWeight: 349.33856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1OCO2)C)NC3=NCCN3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC(=C(C2=C1OCO2)C)NC3=NCCN3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H15N3O2.C4H4O4/c1-7-5-9(15-12-13-3-4-14-12)8(2)11-10(7)16-6-17-11;5-3(6)1-2-4(7)8/h5H,3-4,6H2,1-2H3,(H2,13,14,15);1-2H,(H,5,6)(H,7,8)/b;2-1+