4-(4-acetamido-3-methyl-phenoxy)-3-nitro-5-sulfamoyl-benzoic acid

Systemtic Name: 4-(4-acetamido-3-methyl-phenoxy)-3-nitro-5-sulfamoyl-benzoic acid Openeye Name: 4-(4-acetamido-3-methyl-phenoxy)-3-nitro-5-sulfamoyl-benzoic acid CAS Name: 4-(4-acetamido-3-methylphenoxy)-3-nitro-5-sulfamoylbenzoic acid IUPAC Name: 4-(4-acetamido-3-methylphenoxy)-3-nitro-5-sulfamoylbenzoic acid Traditional Name: 4-(4-acetamido-3-methyl-phenoxy)-3-nitro-5-sulfamoyl-benzoic acid Formula: C16H15N3O8S MolecularWeight: 409.3706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)[N+](=O)[O-])NC(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)[N+](=O)[O-])NC(=O)C

InChI

InChI=1S/C16H15N3O8S/c1-8-5-11(3-4-12(8)18-9(2)20)27-15-13(19(23)24)6-10(16(21)22)7-14(15)28(17,25)26/h3-7H,1-2H3,(H,18,20)(H,21,22)(H2,17,25,26)