N-[3-[2,3-bis(oxidanyl)propylsulfanyl]-5-nitro-phenyl]-2-chloranyl-ethanamide

Systemtic Name: N-[3-[2,3-bis(oxidanyl)propylsulfanyl]-5-nitro-phenyl]-2-chloranyl-ethanamide Openeye Name: 2-chloro-N-[3-(2,3-dihydroxypropylsulfanyl)-5-nitro-phenyl]acetamide CAS Name: 2-chloro-N-[3-(2,3-dihydroxypropylthio)-5-nitrophenyl]acetamide IUPAC Name: 2-chloro-N-[3-(2,3-dihydroxypropylsulfanyl)-5-nitrophenyl]acetamide Traditional Name: 2-chloro-N-[3-(glycerylthio)-5-nitro-phenyl]acetamide Formula: C11H13ClN2O5S MolecularWeight: 320.74932

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1[N+](=O)[O-])SCC(CO)O)NC(=O)CCl

Isomeric SMILES

C1=C(C=C(C=C1[N+](=O)[O-])SCC(CO)O)NC(=O)CCl

InChI

InChI=1S/C11H13ClN2O5S/c12-4-11(17)13-7-1-8(14(18)19)3-10(2-7)20-6-9(16)5-15/h1-3,9,15-16H,4-6H2,(H,13,17)