(E)-2-[(4-oxidanyl-5-oxidanylidene-cyclohepta-1,3,6-trien-1-yl)amino]but-2-enedioic acid

Systemtic Name: (E)-2-[(4-oxidanyl-5-oxidanylidene-cyclohepta-1,3,6-trien-1-yl)amino]but-2-enedioic acid Openeye Name: (E)-2-[(4-hydroxy-5-oxo-cyclohepta-1,3,6-trien-1-yl)amino]but-2-enedioic acid CAS Name: (E)-2-[(4-hydroxy-5-oxo-1-cyclohepta-1,3,6-trienyl)amino]-2-butenedioic acid IUPAC Name: (E)-2-[(4-hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)amino]but-2-enedioic acid Traditional Name: (E)-2-[(4-hydroxy-5-keto-cyclohepta-1,3,6-trien-1-yl)amino]but-2-enedioic acid Formula: C11H9NO6 MolecularWeight: 251.19226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C(=CC=C1NC(=CC(=O)O)C(=O)O)O

Isomeric SMILES

C1=CC(=O)C(=CC=C1N/C(=C/C(=O)O)/C(=O)O)O

InChI

InChI=1S/C11H9NO6/c13-8-3-1-6(2-4-9(8)14)12-7(11(17)18)5-10(15)16/h1-5,12H,(H,13,14)(H,15,16)(H,17,18)/b7-5+