[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 3,4-bis(chloranyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 3,4-bis(chloranyl)benzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 3,4-dichlorobenzoate CAS Name: 3,4-dichlorobenzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 3,4-dichlorobenzoate Traditional Name: 3,4-dichlorobenzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C12H9Cl2NO3 MolecularWeight: 286.11076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9Cl2NO3/c1-2-5-15-11(16)7-18-12(17)8-3-4-9(13)10(14)6-8/h1,3-4,6H,5,7H2,(H,15,16)