(E)-but-2-enedioic acid; 5-methyl-6H-pyrido[3,4-b][1,4]benzoxazepine

Systemtic Name: (E)-but-2-enedioic acid; 5-methyl-6H-pyrido[3,4-b][1,4]benzoxazepine Openeye Name: fumaric acid; 5-methyl-6H-pyrido[3,4-b][1,4]benzoxazepine CAS Name: (E)-2-butenedioic acid; 5-methyl-6H-pyrido[3,4-b][1,4]benzoxazepine IUPAC Name: (E)-but-2-enedioic acid; 5-methyl-6H-pyrido[3,4-b][1,4]benzoxazepine Traditional Name: fumaric acid; 5-methyl-6H-pyrido[3,4-b][1,4]benzoxazepine Formula: C17H16N2O5 MolecularWeight: 328.31934

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=CC=CC=C2OC3=C1C=CN=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CC2=CC=CC=C2OC3=C1C=CN=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H12N2O.C4H4O4/c1-15-9-10-4-2-3-5-12(10)16-13-8-14-7-6-11(13)15;5-3(6)1-2-4(7)8/h2-8H,9H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+