5-chloranyl-3$l^{6}-thia-2-azabicyclo[2.2.2]octa-1(6),4,7-triene 3,3-dioxide; 5-[1-(oxidanylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-chloranyl-3$l^{6}-thia-2-azabicyclo[2.2.2]octa-1(6),4,7-triene 3,3-dioxide; 5-[1-(oxidanylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxylic acid Openeye Name: 5-chloro-3$l^{6}-thia-2-azabicyclo[2.2.2]octa-1(6),4,7-triene 3,3-dioxide; 5-[1-(hydroxyamino)ethyl]-2,3-dihydrobenzofuran-2-carboxylic acid CAS Name: 5-chloro-3$l^{6}-thia-2-azabicyclo[2.2.2]octa-1(6),4,7-triene 3,3-dioxide; 5-[1-(hydroxyamino)ethyl]-2,3-dihydrobenzofuran-2-carboxylic acid IUPAC Name: 5-chloro-3$l^{6}-thia-2-azabicyclo[2.2.2]octa-1(6),4,7-triene 3,3-dioxide; 5-[1-(hydroxyamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxylic acid Traditional Name: 5-chloro-3$l^{6}-thia-2-azabicyclo[2.2.2]octa-1(6),4,7-triene 3,3-dioxide; 5-[1-(hydroxyamino)ethyl]coumaran-2-carboxylic acid Formula: C17H17ClN2O6S MolecularWeight: 412.84468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OC(C2)C(=O)O)NO.C1=CC2=C(C=C1NS2(=O)=O)Cl

Isomeric SMILES

CC(C1=CC2=C(C=C1)OC(C2)C(=O)O)NO.C1=CC2=C(C=C1NS2(=O)=O)Cl

InChI

InChI=1S/C11H13NO4.C6H4ClNO2S/c1-6(12-15)7-2-3-9-8(4-7)5-10(16-9)11(13)14;7-5-3-4-1-2-6(5)11(9,10)8-4/h2-4,6,10,12,15H,5H2,1H3,(H,13,14);1-3,8H