3-nitro-4-(propan-2-ylamino)-5-sulfamoyl-benzoic acid

Systemtic Name: 3-nitro-4-(propan-2-ylamino)-5-sulfamoyl-benzoic acid Openeye Name: 4-(isopropylamino)-3-nitro-5-sulfamoyl-benzoic acid CAS Name: 3-nitro-4-(propan-2-ylamino)-5-sulfamoylbenzoic acid IUPAC Name: 3-nitro-4-(propan-2-ylamino)-5-sulfamoylbenzoic acid Traditional Name: 4-(isopropylamino)-3-nitro-5-sulfamoyl-benzoic acid Formula: C10H13N3O6S MolecularWeight: 303.29172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C(C=C(C=C1S(=O)(=O)N)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC1=C(C=C(C=C1S(=O)(=O)N)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C10H13N3O6S/c1-5(2)12-9-7(13(16)17)3-6(10(14)15)4-8(9)20(11,18)19/h3-5,12H,1-2H3,(H,14,15)(H2,11,18,19)