2-[(2-chloranyl-4-iodanyl-phenyl)amino]-3-fluoranyl-5-nitro-4-[(4-sulfamoylphenyl)amino]benzoic acid

Systemtic Name: 2-[(2-chloranyl-4-iodanyl-phenyl)amino]-3-fluoranyl-5-nitro-4-[(4-sulfamoylphenyl)amino]benzoic acid Openeye Name: 2-(2-chloro-4-iodo-anilino)-3-fluoro-5-nitro-4-(4-sulfamoylanilino)benzoic acid CAS Name: 2-(2-chloro-4-iodoanilino)-3-fluoro-5-nitro-4-(4-sulfamoylanilino)benzoic acid IUPAC Name: 2-(2-chloro-4-iodoanilino)-3-fluoro-5-nitro-4-(4-sulfamoylanilino)benzoic acid Traditional Name: 2-(2-chloro-4-iodo-anilino)-3-fluoro-5-nitro-4-(4-sulfamoylanilino)benzoic acid Formula: C19H13ClFIN4O6S MolecularWeight: 606.750593

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=C(C=C(C(=C2F)NC3=C(C=C(C=C3)I)Cl)C(=O)O)[N+](=O)[O-])S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1NC2=C(C=C(C(=C2F)NC3=C(C=C(C=C3)I)Cl)C(=O)O)[N+](=O)[O-])S(=O)(=O)N

InChI

InChI=1S/C19H13ClFIN4O6S/c20-13-7-9(22)1-6-14(13)25-17-12(19(27)28)8-15(26(29)30)18(16(17)21)24-10-2-4-11(5-3-10)33(23,31)32/h1-8,24-25H,(H,27,28)(H2,23,31,32)