3-[4-(diethylsulfamoyl)-2-nitro-phenoxy]propanoate

Systemtic Name: 3-[4-(diethylsulfamoyl)-2-nitro-phenoxy]propanoate Openeye Name: 3-[4-(diethylsulfamoyl)-2-nitro-phenoxy]propanoate CAS Name: 3-[4-(diethylsulfamoyl)-2-nitrophenoxy]propanoate IUPAC Name: 3-[4-(diethylsulfamoyl)-2-nitrophenoxy]propanoate Traditional Name: 3-[4-(diethylsulfamoyl)-2-nitro-phenoxy]propionate Formula: C13H17N2O7S- MolecularWeight: 345.34828

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OCCC(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OCCC(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H18N2O7S/c1-3-14(4-2)23(20,21)10-5-6-12(11(9-10)15(18)19)22-8-7-13(16)17/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,17)/p-1