(E)-but-2-enedioic acid; 1,2,3,6-tetrahydropyridine

Systemtic Name: (E)-but-2-enedioic acid; 1,2,3,6-tetrahydropyridine Openeye Name: fumaric acid; 1,2,3,6-tetrahydropyridine CAS Name: (E)-2-butenedioic acid; 1,2,3,6-tetrahydropyridine IUPAC Name: (E)-but-2-enedioic acid; 1,2,3,6-tetrahydropyridine Traditional Name: fumaric acid; 1,2,3,6-tetrahydropyridine Formula: C9H13NO4 MolecularWeight: 199.20382

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC=C1.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CNCC=C1.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C5H9N.C4H4O4/c1-2-4-6-5-3-1;5-3(6)1-2-4(7)8/h1-2,6H,3-5H2;1-2H,(H,5,6)(H,7,8)/b;2-1+