[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 3-chloranylbenzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 3-chloranylbenzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C12H10ClNO3 MolecularWeight: 251.6657

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10ClNO3/c1-2-6-14-11(15)8-17-12(16)9-4-3-5-10(13)7-9/h1,3-5,7H,6,8H2,(H,14,15)