1,2-benzoxazepine; (E)-but-2-enedioic acid; hydrate

Systemtic Name: 1,2-benzoxazepine; (E)-but-2-enedioic acid; hydrate Openeye Name: 1,2-benzoxazepine; fumaric acid; hydrate CAS Name: 1,2-benzoxazepine; (E)-2-butenedioic acid; hydrate IUPAC Name: 1,2-benzoxazepine; (E)-but-2-enedioic acid; hydrate Traditional Name: 1,2-benzoxazepine; fumaric acid; hydrate Formula: C13H13NO6 MolecularWeight: 279.24542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=NO2.C(=CC(=O)O)C(=O)O.O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=NO2.C(=C/C(=O)O)\C(=O)O.O

InChI

InChI=1S/C9H7NO.C4H4O4.H2O/c1-2-6-9-8(4-1)5-3-7-10-11-9;5-3(6)1-2-4(7)8;/h1-7H;1-2H,(H,5,6)(H,7,8);1H2/b;2-1+;