3-(cyclopropylmethylamino)-4-(4-nitrophenoxy)-5-sulfamoyl-benzoic acid

Systemtic Name: 3-(cyclopropylmethylamino)-4-(4-nitrophenoxy)-5-sulfamoyl-benzoic acid Openeye Name: 3-(cyclopropylmethylamino)-4-(4-nitrophenoxy)-5-sulfamoyl-benzoic acid CAS Name: 3-(cyclopropylmethylamino)-4-(4-nitrophenoxy)-5-sulfamoylbenzoic acid IUPAC Name: 3-(cyclopropylmethylamino)-4-(4-nitrophenoxy)-5-sulfamoylbenzoic acid Traditional Name: 3-(cyclopropylmethylamino)-4-(4-nitrophenoxy)-5-sulfamoyl-benzoic acid Formula: C17H17N3O7S MolecularWeight: 407.39778

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CNC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC1CNC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O7S/c18-28(25,26)15-8-11(17(21)22)7-14(19-9-10-1-2-10)16(15)27-13-5-3-12(4-6-13)20(23)24/h3-8,10,19H,1-2,9H2,(H,21,22)(H2,18,25,26)