5H-1,2-benzoxazepin-4-one; (E)-but-2-enedioic acid

Systemtic Name: 5H-1,2-benzoxazepin-4-one; (E)-but-2-enedioic acid Openeye Name: 5H-1,2-benzoxazepin-4-one; fumaric acid CAS Name: 5H-1,2-benzoxazepin-4-one; (E)-2-butenedioic acid IUPAC Name: 5H-1,2-benzoxazepin-4-one; (E)-but-2-enedioic acid Traditional Name: 5H-1,2-benzoxazepin-4-one; fumaric acid Formula: C13H11NO6 MolecularWeight: 277.22954

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2ON=CC1=O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1C2=CC=CC=C2ON=CC1=O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C9H7NO2.C4H4O4/c11-8-5-7-3-1-2-4-9(7)12-10-6-8;5-3(6)1-2-4(7)8/h1-4,6H,5H2;1-2H,(H,5,6)(H,7,8)/b;2-1+