(E)-but-2-enedioic acid; 10-chloranyl-4-methyl-2,3,4a,5,6,11b-hexahydro-[1]benzoxepino[5,4-b][1,4]oxazine

Systemtic Name: (E)-but-2-enedioic acid; 10-chloranyl-4-methyl-2,3,4a,5,6,11b-hexahydro-[1]benzoxepino[5,4-b][1,4]oxazine Openeye Name: 10-chloro-4-methyl-2,3,4a,5,6,11b-hexahydro-[1]benzoxepino[5,4-b][1,4]oxazine; fumaric acid CAS Name: (E)-2-butenedioic acid; 10-chloro-4-methyl-2,3,4a,5,6,11b-hexahydro-[1]benzoxepino[5,4-b][1,4]oxazine IUPAC Name: (E)-but-2-enedioic acid; 10-chloro-4-methyl-2,3,4a,5,6,11b-hexahydro-[1]benzoxepino[5,4-b][1,4]oxazine Traditional Name: 10-chloro-4-methyl-2,3,4a,5,6,11b-hexahydro-[1]benzoxepino[5,4-b][1,4]oxazine; fumaric acid Formula: C17H20ClNO6 MolecularWeight: 369.7968

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCOC2C1CCOC3=C2C=C(C=C3)Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCOC2C1CCOC3=C2C=C(C=C3)Cl.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H16ClNO2.C4H4O4/c1-15-5-7-17-13-10-8-9(14)2-3-12(10)16-6-4-11(13)15;5-3(6)1-2-4(7)8/h2-3,8,11,13H,4-7H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+