3-(2-methoxy-5-nitro-3-sulfamoyl-phenoxy)propanoic acid

Systemtic Name: 3-(2-methoxy-5-nitro-3-sulfamoyl-phenoxy)propanoic acid Openeye Name: 3-(2-methoxy-5-nitro-3-sulfamoyl-phenoxy)propanoic acid CAS Name: 3-(2-methoxy-5-nitro-3-sulfamoylphenoxy)propanoic acid IUPAC Name: 3-(2-methoxy-5-nitro-3-sulfamoylphenoxy)propanoic acid Traditional Name: 3-(2-methoxy-5-nitro-3-sulfamoyl-phenoxy)propionic acid Formula: C10H12N2O8S MolecularWeight: 320.27588

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1S(=O)(=O)N)[N+](=O)[O-])OCCC(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1S(=O)(=O)N)[N+](=O)[O-])OCCC(=O)O

InChI

InChI=1S/C10H12N2O8S/c1-19-10-7(20-3-2-9(13)14)4-6(12(15)16)5-8(10)21(11,17)18/h4-5H,2-3H2,1H3,(H,13,14)(H2,11,17,18)