3,4,4a,5,6,11b-hexahydro-2H-[1]benzoxepino[5,4-b][1,4]oxazine; (E)-but-2-enedioic acid

Systemtic Name: 3,4,4a,5,6,11b-hexahydro-2H-[1]benzoxepino[5,4-b][1,4]oxazine; (E)-but-2-enedioic acid Openeye Name: 3,4,4a,5,6,11b-hexahydro-2H-[1]benzoxepino[5,4-b][1,4]oxazine; fumaric acid CAS Name: 3,4,4a,5,6,11b-hexahydro-2H-[1]benzoxepino[5,4-b][1,4]oxazine; (E)-2-butenedioic acid IUPAC Name: 3,4,4a,5,6,11b-hexahydro-2H-[1]benzoxepino[5,4-b][1,4]oxazine; (E)-but-2-enedioic acid Traditional Name: 3,4,4a,5,6,11b-hexahydro-2H-[1]benzoxepino[5,4-b][1,4]oxazine; fumaric acid Formula: C16H19NO6 MolecularWeight: 321.32516

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2C3C1NCCO3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1COC2=CC=CC=C2C3C1NCCO3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H15NO2.C4H4O4/c1-2-4-11-9(3-1)12-10(5-7-14-11)13-6-8-15-12;5-3(6)1-2-4(7)8/h1-4,10,12-13H,5-8H2;1-2H,(H,5,6)(H,7,8)/b;2-1+