4-[(2,4-dimethylphenyl)amino]-3-nitro-5-sulfamoyl-benzoic acid

Systemtic Name: 4-[(2,4-dimethylphenyl)amino]-3-nitro-5-sulfamoyl-benzoic acid Openeye Name: 4-(2,4-dimethylanilino)-3-nitro-5-sulfamoyl-benzoic acid CAS Name: 4-(2,4-dimethylanilino)-3-nitro-5-sulfamoylbenzoic acid IUPAC Name: 4-(2,4-dimethylanilino)-3-nitro-5-sulfamoylbenzoic acid Traditional Name: 4-(2,4-dimethylanilino)-3-nitro-5-sulfamoyl-benzoic acid Formula: C15H15N3O6S MolecularWeight: 365.3611

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)[N+](=O)[O-])C

InChI

InChI=1S/C15H15N3O6S/c1-8-3-4-11(9(2)5-8)17-14-12(18(21)22)6-10(15(19)20)7-13(14)25(16,23)24/h3-7,17H,1-2H3,(H,19,20)(H2,16,23,24)