[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 5-bromanyl-2-chloranyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 5-bromanyl-2-chloranyl-benzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 5-bromo-2-chloro-benzoate CAS Name: 5-bromo-2-chlorobenzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 5-bromo-2-chlorobenzoate Traditional Name: 5-bromo-2-chloro-benzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C12H9BrClNO3 MolecularWeight: 330.56176

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)COC(=O)C1=C(C=CC(=C1)Br)Cl

Isomeric SMILES

C#CCNC(=O)COC(=O)C1=C(C=CC(=C1)Br)Cl

InChI

InChI=1S/C12H9BrClNO3/c1-2-5-15-11(16)7-18-12(17)9-6-8(13)3-4-10(9)14/h1,3-4,6H,5,7H2,(H,15,16)