2-[[(4-chloranyl-7-oxidanylidene-cyclohepta-1,3,5-trien-1-yl)amino]methylidene]propanedioic acid

Systemtic Name: 2-[[(4-chloranyl-7-oxidanylidene-cyclohepta-1,3,5-trien-1-yl)amino]methylidene]propanedioic acid Openeye Name: 2-[[(4-chloro-7-oxo-cyclohepta-1,3,5-trien-1-yl)amino]methylene]propanedioic acid CAS Name: 2-[[(4-chloro-7-oxo-1-cyclohepta-1,3,5-trienyl)amino]methylidene]propanedioic acid IUPAC Name: 2-[[(4-chloro-7-oxocyclohepta-1,3,5-trien-1-yl)amino]methylidene]propanedioic acid Traditional Name: 2-[[(4-chloro-7-keto-cyclohepta-1,3,5-trien-1-yl)amino]methylene]malonic acid Formula: C11H8ClNO5 MolecularWeight: 269.63792

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C(=CC=C1Cl)NC=C(C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=O)C(=CC=C1Cl)NC=C(C(=O)O)C(=O)O

InChI

InChI=1S/C11H8ClNO5/c12-6-1-3-8(9(14)4-2-6)13-5-7(10(15)16)11(17)18/h1-5H,(H,13,14)(H,15,16)(H,17,18)