[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-bromanylbenzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-bromanylbenzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C12H11BrN2O3 MolecularWeight: 311.13134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC(=O)NCCC#N)Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC(=O)NCCC#N)Br

InChI

InChI=1S/C12H11BrN2O3/c13-10-4-2-9(3-5-10)12(17)18-8-11(16)15-7-1-6-14/h2-5H,1,7-8H2,(H,15,16)