[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C13H13ClN2O4 MolecularWeight: 296.70632

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCC(=O)NCC#C)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCC(=O)NCC#C)Cl)N

InChI

InChI=1S/C13H13ClN2O4/c1-3-4-16-12(17)7-20-13(18)8-5-9(14)10(15)6-11(8)19-2/h1,5-6H,4,7,15H2,2H3,(H,16,17)