4-(5-methyl-2-nitro-4-sulfamoyl-phenoxy)butanoic acid

Systemtic Name: 4-(5-methyl-2-nitro-4-sulfamoyl-phenoxy)butanoic acid Openeye Name: 4-(5-methyl-2-nitro-4-sulfamoyl-phenoxy)butanoic acid CAS Name: 4-(5-methyl-2-nitro-4-sulfamoylphenoxy)butanoic acid IUPAC Name: 4-(5-methyl-2-nitro-4-sulfamoylphenoxy)butanoic acid Traditional Name: 4-(5-methyl-2-nitro-4-sulfamoyl-phenoxy)butyric acid Formula: C11H14N2O7S MolecularWeight: 318.30306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)N)[N+](=O)[O-])OCCCC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)N)[N+](=O)[O-])OCCCC(=O)O

InChI

InChI=1S/C11H14N2O7S/c1-7-5-9(20-4-2-3-11(14)15)8(13(16)17)6-10(7)21(12,18)19/h5-6H,2-4H2,1H3,(H,14,15)(H2,12,18,19)