(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(methylsulfamoyl)benzoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(methylsulfamoyl)benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(methylsulfamoyl)benzoate CAS Name: 3-(methylsulfamoyl)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(methylsulfamoyl)benzoate Traditional Name: 3-(methylsulfamoyl)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C17H16N2O8S MolecularWeight: 408.38254

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CNS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C17H16N2O8S/c1-18-28(23,24)15-4-2-3-11(7-15)17(20)26-9-13-6-14(19(21)22)5-12-8-25-10-27-16(12)13/h2-7,18H,8-10H2,1H3