3-(5-methyl-2-nitro-4-sulfamoyl-phenoxy)propanoic acid

Systemtic Name: 3-(5-methyl-2-nitro-4-sulfamoyl-phenoxy)propanoic acid Openeye Name: 3-(5-methyl-2-nitro-4-sulfamoyl-phenoxy)propanoic acid CAS Name: 3-(5-methyl-2-nitro-4-sulfamoylphenoxy)propanoic acid IUPAC Name: 3-(5-methyl-2-nitro-4-sulfamoylphenoxy)propanoic acid Traditional Name: 3-(5-methyl-2-nitro-4-sulfamoyl-phenoxy)propionic acid Formula: C10H12N2O7S MolecularWeight: 304.27648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12N2O7S/c1-6-4-8(19-3-2-10(13)14)7(12(15)16)5-9(6)20(11,17)18/h4-5H,2-3H2,1H3,(H,13,14)(H2,11,17,18)