5-bromanyl-2-[2-(cyanomethylamino)-2-oxidanylidene-ethoxy]benzoic acid

Systemtic Name: 5-bromanyl-2-[2-(cyanomethylamino)-2-oxidanylidene-ethoxy]benzoic acid Openeye Name: 5-bromo-2-[2-(cyanomethylamino)-2-oxo-ethoxy]benzoic acid CAS Name: 5-bromo-2-[2-(cyanomethylamino)-2-oxoethoxy]benzoic acid IUPAC Name: 5-bromo-2-[2-(cyanomethylamino)-2-oxoethoxy]benzoic acid Traditional Name: 5-bromo-2-[2-(cyanomethylamino)-2-keto-ethoxy]benzoic acid Formula: C11H9BrN2O4 MolecularWeight: 313.10416

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)C(=O)O)OCC(=O)NCC#N

Isomeric SMILES

C1=CC(=C(C=C1Br)C(=O)O)OCC(=O)NCC#N

InChI

InChI=1S/C11H9BrN2O4/c12-7-1-2-9(8(5-7)11(16)17)18-6-10(15)14-4-3-13/h1-2,5H,4,6H2,(H,14,15)(H,16,17)