(E)-but-2-enedioic acid; 2,3-dihydro-1,4-benzodioxin-3-ylmethyldiazane

Systemtic Name: (E)-but-2-enedioic acid; 2,3-dihydro-1,4-benzodioxin-3-ylmethyldiazane Openeye Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethylhydrazine; fumaric acid CAS Name: (E)-2-butenedioic acid; 2,3-dihydro-1,4-benzodioxin-3-ylmethylhydrazine IUPAC Name: (E)-but-2-enedioic acid; 2,3-dihydro-1,4-benzodioxin-3-ylmethylhydrazine Traditional Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethylhydrazine; fumaric acid Formula: C13H16N2O6 MolecularWeight: 296.27594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CNN.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)CNN.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C9H12N2O2.C4H4O4/c10-11-5-7-6-12-8-3-1-2-4-9(8)13-7;5-3(6)1-2-4(7)8/h1-4,7,11H,5-6,10H2;1-2H,(H,5,6)(H,7,8)/b;2-1+