N-[3-(2-hydroxyethylsulfanyl)-5-nitro-phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[3-(2-hydroxyethylsulfanyl)-5-nitro-phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[3-(2-hydroxyethylsulfanyl)-5-nitro-phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[3-(2-hydroxyethylthio)-5-nitrophenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[3-(2-hydroxyethylsulfanyl)-5-nitrophenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-(2-hydroxyethylthio)-5-nitro-phenyl]-piperonylamide Formula: C16H14N2O6S MolecularWeight: 362.35716

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC(=CC(=C3)SCCO)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC(=CC(=C3)SCCO)[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O6S/c19-3-4-25-13-7-11(6-12(8-13)18(21)22)17-16(20)10-1-2-14-15(5-10)24-9-23-14/h1-2,5-8,19H,3-4,9H2,(H,17,20)