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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-chloranyl-3-(diethylsulfamoyl)benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-chloro-3-(diethylsulfamoyl)benzoate CAS Name: 4-chloro-3-(diethylsulfamoyl)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-chloro-3-(diethylsulfamoyl)benzoate Traditional Name: 4-chloro-3-(diethylsulfamoyl)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H21ClN2O8S MolecularWeight: 484.90734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O8S/c1-3-22(4-2)32(27,28)18-9-13(5-6-17(18)21)20(24)30-11-15-8-16(23(25)26)7-14-10-29-12-31-19(14)15/h5-9H,3-4,10-12H2,1-2H3