2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(2-methyl-6-nitro-phenyl)ethanamide

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(2-methyl-6-nitro-phenyl)ethanamide Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(2-methyl-6-nitro-phenyl)acetamide CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-(2-methyl-6-nitrophenyl)acetamide IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(2-methyl-6-nitrophenyl)acetamide Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-(2-methyl-6-nitro-phenyl)acetamide Formula: C17H16N2O5S MolecularWeight: 360.38434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)CSC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)CSC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C17H16N2O5S/c1-11-3-2-4-13(19(21)22)17(11)18-16(20)10-25-12-5-6-14-15(9-12)24-8-7-23-14/h2-6,9H,7-8,10H2,1H3,(H,18,20)