2-azanyl-1-benzoxepin-5-ol; (E)-but-2-enedioic acid

Systemtic Name: 2-azanyl-1-benzoxepin-5-ol; (E)-but-2-enedioic acid Openeye Name: 2-amino-1-benzoxepin-5-ol; fumaric acid CAS Name: 2-amino-1-benzoxepin-5-ol; (E)-2-butenedioic acid IUPAC Name: 2-amino-1-benzoxepin-5-ol; (E)-but-2-enedioic acid Traditional Name: 2-amino-1-benzoxepin-5-ol; fumaric acid Formula: C14H13NO6 MolecularWeight: 291.25612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=C(O2)N)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=C(O2)N)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C10H9NO2.C4H4O4/c11-10-6-5-8(12)7-3-1-2-4-9(7)13-10;5-3(6)1-2-4(7)8/h1-6,12H,11H2;1-2H,(H,5,6)(H,7,8)/b;2-1+