[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 5-chloranyl-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 5-chloranyl-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 5-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 5-chloro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 5-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 5-chloro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C14H12ClNO5 MolecularWeight: 309.70178

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)COC(=O)C1=CC2=C(C(=C1)Cl)OCCO2

Isomeric SMILES

C#CCNC(=O)COC(=O)C1=CC2=C(C(=C1)Cl)OCCO2

InChI

InChI=1S/C14H12ClNO5/c1-2-3-16-12(17)8-21-14(18)9-6-10(15)13-11(7-9)19-4-5-20-13/h1,6-7H,3-5,8H2,(H,16,17)