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

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 3-azanyl-4-chloranyl-benzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 3-amino-4-chloro-benzoate CAS Name: 3-amino-4-chlorobenzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 3-amino-4-chlorobenzoate Traditional Name: 3-amino-4-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=CC(=C(C=C1)Cl)N

Isomeric SMILES

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

InChI

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