4-[(4-chlorophenyl)amino]-3-nitro-5-sulfamoyl-benzoic acid

Systemtic Name: 4-[(4-chlorophenyl)amino]-3-nitro-5-sulfamoyl-benzoic acid Openeye Name: 4-(4-chloroanilino)-3-nitro-5-sulfamoyl-benzoic acid CAS Name: 4-(4-chloroanilino)-3-nitro-5-sulfamoylbenzoic acid IUPAC Name: 4-(4-chloroanilino)-3-nitro-5-sulfamoylbenzoic acid Traditional Name: 4-(4-chloroanilino)-3-nitro-5-sulfamoyl-benzoic acid Formula: C13H10ClN3O6S MolecularWeight: 371.753

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1NC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H10ClN3O6S/c14-8-1-3-9(4-2-8)16-12-10(17(20)21)5-7(13(18)19)6-11(12)24(15,22)23/h1-6,16H,(H,18,19)(H2,15,22,23)