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

Systemtic Name: 3-nitro-4-(phenethylamino)-5-sulfamoyl-benzoic acid Openeye Name: 3-nitro-4-(phenethylamino)-5-sulfamoyl-benzoic acid CAS Name: 3-nitro-4-(phenethylamino)-5-sulfamoylbenzoic acid IUPAC Name: 3-nitro-4-(phenethylamino)-5-sulfamoylbenzoic acid Traditional Name: 3-nitro-4-(phenethylamino)-5-sulfamoyl-benzoic acid Formula: C15H15N3O6S MolecularWeight: 365.3611

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C15H15N3O6S/c16-25(23,24)13-9-11(15(19)20)8-12(18(21)22)14(13)17-7-6-10-4-2-1-3-5-10/h1-5,8-9,17H,6-7H2,(H,19,20)(H2,16,23,24)