2-[[(7-oxidanylidenecyclohepta-1,3,5-trien-1-yl)amino]methylidene]propanedioic acid

Systemtic Name: 2-[[(7-oxidanylidenecyclohepta-1,3,5-trien-1-yl)amino]methylidene]propanedioic acid Openeye Name: 2-[[(7-oxocyclohepta-1,3,5-trien-1-yl)amino]methylene]propanedioic acid CAS Name: 2-[[(7-oxo-1-cyclohepta-1,3,5-trienyl)amino]methylidene]propanedioic acid IUPAC Name: 2-[[(7-oxocyclohepta-1,3,5-trien-1-yl)amino]methylidene]propanedioic acid Traditional Name: 2-[[(7-ketocyclohepta-1,3,5-trien-1-yl)amino]methylene]malonic acid Formula: C11H9NO5 MolecularWeight: 235.19286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=O)C=C1)NC=C(C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C(=O)C=C1)NC=C(C(=O)O)C(=O)O

InChI

InChI=1S/C11H9NO5/c13-9-5-3-1-2-4-8(9)12-6-7(10(14)15)11(16)17/h1-6H,(H,12,13)(H,14,15)(H,16,17)