(E)-but-2-enedioic acid; 1-methyl-3-phenoxy-azetidine

Systemtic Name: (E)-but-2-enedioic acid; 1-methyl-3-phenoxy-azetidine Openeye Name: fumaric acid; 1-methyl-3-phenoxy-azetidine CAS Name: (E)-2-butenedioic acid; 1-methyl-3-phenoxyazetidine IUPAC Name: (E)-but-2-enedioic acid; 1-methyl-3-phenoxyazetidine Traditional Name: fumaric acid; 1-methyl-3-phenoxy-azetidine Formula: C14H17NO5 MolecularWeight: 279.28848

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(C1)OC2=CC=CC=C2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CC(C1)OC2=CC=CC=C2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C10H13NO.C4H4O4/c1-11-7-10(8-11)12-9-5-3-2-4-6-9;5-3(6)1-2-4(7)8/h2-6,10H,7-8H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+