[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-azanyl-3-chloranyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-azanyl-3-chloranyl-benzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-amino-3-chloro-benzoate CAS Name: 2-amino-3-chlorobenzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-amino-3-chlorobenzoate Traditional Name: 2-amino-3-chloro-benzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C12H11ClN2O3 MolecularWeight: 266.68034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11ClN2O3/c1-2-6-15-10(16)7-18-12(17)8-4-3-5-9(13)11(8)14/h1,3-5H,6-7,14H2,(H,15,16)