acetyloxymethyl 1,2,3,6-tetrahydropyridine-4-carboxylate; (E)-but-2-enedioic acid

Systemtic Name: acetyloxymethyl 1,2,3,6-tetrahydropyridine-4-carboxylate; (E)-but-2-enedioic acid Openeye Name: acetoxymethyl 1,2,3,6-tetrahydropyridine-4-carboxylate; fumaric acid CAS Name: (E)-2-butenedioic acid; 1,2,3,6-tetrahydropyridine-4-carboxylic acid acetyloxymethyl ester IUPAC Name: acetyloxymethyl 1,2,3,6-tetrahydropyridine-4-carboxylate; (E)-but-2-enedioic acid Traditional Name: fumaric acid; 1,2,3,6-tetrahydropyridine-4-carboxylic acid acetoxymethyl ester Formula: C13H17NO8 MolecularWeight: 315.27598

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCOC(=O)C1=CCNCC1.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(=O)OCOC(=O)C1=CCNCC1.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C9H13NO4.C4H4O4/c1-7(11)13-6-14-9(12)8-2-4-10-5-3-8;5-3(6)1-2-4(7)8/h2,10H,3-6H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+