(E)-but-2-enedioic acid; 1,4-dihydroisoquinoline

Systemtic Name: (E)-but-2-enedioic acid; 1,4-dihydroisoquinoline Openeye Name: 1,4-dihydroisoquinoline; fumaric acid CAS Name: (E)-2-butenedioic acid; 1,4-dihydroisoquinoline IUPAC Name: (E)-but-2-enedioic acid; 1,4-dihydroisoquinoline Traditional Name: 1,4-dihydroisoquinoline; fumaric acid Formula: C13H13NO4 MolecularWeight: 247.24662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=NCC2=CC=CC=C21.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1C=NCC2=CC=CC=C21.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C9H9N.C4H4O4/c1-2-4-9-7-10-6-5-8(9)3-1;5-3(6)1-2-4(7)8/h1-4,6H,5,7H2;1-2H,(H,5,6)(H,7,8)/b;2-1+