[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 5-bromanyl-2-oxidanyl-benzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 5-bromanyl-2-oxidanyl-benzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 5-bromo-2-hydroxy-benzoate CAS Name: 5-bromo-2-hydroxybenzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate Traditional Name: 5-bromo-2-hydroxy-benzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C12H11BrN2O4 MolecularWeight: 327.13074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11BrN2O4/c13-8-2-3-10(16)9(6-8)12(18)19-7-11(17)15-5-1-4-14/h2-3,6,16H,1,5,7H2,(H,15,17)