3-nitro-4-phenylazanyl-5-sulfamoyl-benzoic acid

Systemtic Name: 3-nitro-4-phenylazanyl-5-sulfamoyl-benzoic acid Openeye Name: 4-anilino-3-nitro-5-sulfamoyl-benzoic acid CAS Name: 4-anilino-3-nitro-5-sulfamoylbenzoic acid IUPAC Name: 4-anilino-3-nitro-5-sulfamoylbenzoic acid Traditional Name: 4-anilino-3-nitro-5-sulfamoyl-benzoic acid Formula: C13H11N3O6S MolecularWeight: 337.30794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H11N3O6S/c14-23(21,22)11-7-8(13(17)18)6-10(16(19)20)12(11)15-9-4-2-1-3-5-9/h1-7,15H,(H,17,18)(H2,14,21,22)