4-(butylamino)-3-nitro-5-sulfamoyl-benzoic acid

Systemtic Name: 4-(butylamino)-3-nitro-5-sulfamoyl-benzoic acid Openeye Name: 4-(butylamino)-3-nitro-5-sulfamoyl-benzoic acid CAS Name: 4-(butylamino)-3-nitro-5-sulfamoylbenzoic acid IUPAC Name: 4-(butylamino)-3-nitro-5-sulfamoylbenzoic acid Traditional Name: 4-(butylamino)-3-nitro-5-sulfamoyl-benzoic acid Formula: C11H15N3O6S MolecularWeight: 317.3183

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=C(C=C1S(=O)(=O)N)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=C(C=C(C=C1S(=O)(=O)N)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C11H15N3O6S/c1-2-3-4-13-10-8(14(17)18)5-7(11(15)16)6-9(10)21(12,19)20/h5-6,13H,2-4H2,1H3,(H,15,16)(H2,12,19,20)