2-[[(6-bromanyl-7-oxidanylidene-cyclohepta-1,3,5-trien-1-yl)amino]methylidene]propanedioic acid

Systemtic Name: 2-[[(6-bromanyl-7-oxidanylidene-cyclohepta-1,3,5-trien-1-yl)amino]methylidene]propanedioic acid Openeye Name: 2-[[(6-bromo-7-oxo-cyclohepta-1,3,5-trien-1-yl)amino]methylene]propanedioic acid CAS Name: 2-[[(6-bromo-7-oxo-1-cyclohepta-1,3,5-trienyl)amino]methylidene]propanedioic acid IUPAC Name: 2-[[(6-bromo-7-oxocyclohepta-1,3,5-trien-1-yl)amino]methylidene]propanedioic acid Traditional Name: 2-[[(6-bromo-7-keto-cyclohepta-1,3,5-trien-1-yl)amino]methylene]malonic acid Formula: C11H8BrNO5 MolecularWeight: 314.08892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H8BrNO5/c12-7-3-1-2-4-8(9(7)14)13-5-6(10(15)16)11(17)18/h1-5H,(H,13,14)(H,15,16)(H,17,18)