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

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 5-bromanyl-2-oxidanyl-benzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 5-bromo-2-hydroxy-benzoate CAS Name: 5-bromo-2-hydroxybenzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 5-bromo-2-hydroxybenzoate Traditional Name: 5-bromo-2-hydroxy-benzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C12H10BrNO4 MolecularWeight: 312.1161

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10BrNO4/c1-2-5-14-11(16)7-18-12(17)9-6-8(13)3-4-10(9)15/h1,3-4,6,15H,5,7H2,(H,14,16)