2-[[5-(diethylsulfamoyl)-2-methyl-phenyl]iminomethyl]-4-nitro-phenolate

Systemtic Name: 2-[[5-(diethylsulfamoyl)-2-methyl-phenyl]iminomethyl]-4-nitro-phenolate Openeye Name: 2-[[5-(diethylsulfamoyl)-2-methyl-phenyl]iminomethyl]-4-nitro-phenolate CAS Name: 2-[[5-(diethylsulfamoyl)-2-methylphenyl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-[[5-(diethylsulfamoyl)-2-methylphenyl]iminomethyl]-4-nitrophenolate Traditional Name: 2-[[5-(diethylsulfamoyl)-2-methyl-phenyl]iminomethyl]-4-nitro-phenolate Formula: C18H20N3O5S- MolecularWeight: 390.4335

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)N=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)N=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C18H21N3O5S/c1-4-20(5-2)27(25,26)16-8-6-13(3)17(11-16)19-12-14-10-15(21(23)24)7-9-18(14)22/h6-12,22H,4-5H2,1-3H3/p-1