(E)-but-2-enedioic acid; (6R)-N-methoxy-9-azabicyclo[4.2.1]non-4-ene-5-carboxamide

Systemtic Name: (E)-but-2-enedioic acid; (6R)-N-methoxy-9-azabicyclo[4.2.1]non-4-ene-5-carboxamide Openeye Name: fumaric acid; (6R)-N-methoxy-9-azabicyclo[4.2.1]non-4-ene-5-carboxamide CAS Name: (E)-2-butenedioic acid; (6R)-N-methoxy-9-azabicyclo[4.2.1]non-4-ene-5-carboxamide IUPAC Name: (E)-but-2-enedioic acid; (6R)-N-methoxy-9-azabicyclo[4.2.1]non-4-ene-5-carboxamide Traditional Name: fumaric acid; (6R)-N-methoxy-9-azabicyclo[4.2.1]non-4-ene-5-carboxamide Formula: C14H20N2O6 MolecularWeight: 312.3184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CONC(=O)C1=CCCC2CCC1N2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CONC(=O)C1=CCCC2CC[C@H]1N2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C10H16N2O2.C4H4O4/c1-14-12-10(13)8-4-2-3-7-5-6-9(8)11-7;5-3(6)1-2-4(7)8/h4,7,9,11H,2-3,5-6H2,1H3,(H,12,13);1-2H,(H,5,6)(H,7,8)/b;2-1+/t7?,9-;/m1./s1