4-(2-methoxyethylamino)-3-nitro-5-sulfamoyl-benzoic acid

Systemtic Name: 4-(2-methoxyethylamino)-3-nitro-5-sulfamoyl-benzoic acid Openeye Name: 4-(2-methoxyethylamino)-3-nitro-5-sulfamoyl-benzoic acid CAS Name: 4-(2-methoxyethylamino)-3-nitro-5-sulfamoylbenzoic acid IUPAC Name: 4-(2-methoxyethylamino)-3-nitro-5-sulfamoylbenzoic acid Traditional Name: 4-(2-methoxyethylamino)-3-nitro-5-sulfamoyl-benzoic acid Formula: C10H13N3O7S MolecularWeight: 319.29112

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1S(=O)(=O)N)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

COCCNC1=C(C=C(C=C1S(=O)(=O)N)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C10H13N3O7S/c1-20-3-2-12-9-7(13(16)17)4-6(10(14)15)5-8(9)21(11,18)19/h4-5,12H,2-3H2,1H3,(H,14,15)(H2,11,18,19)