2-[[(4-oxidanyl-5-oxidanylidene-cyclohepta-1,3,6-trien-1-yl)amino]methylidene]propanedioic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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