5-nitro-2-[[2,3,5-tris(chloranyl)-6-oxidanyl-phenyl]amino]benzoic acid

Systemtic Name: 5-nitro-2-[[2,3,5-tris(chloranyl)-6-oxidanyl-phenyl]amino]benzoic acid Openeye Name: 5-nitro-2-(2,3,5-trichloro-6-hydroxy-anilino)benzoic acid CAS Name: 5-nitro-2-(2,3,5-trichloro-6-hydroxyanilino)benzoic acid IUPAC Name: 5-nitro-2-(2,3,5-trichloro-6-hydroxyanilino)benzoic acid Traditional Name: 5-nitro-2-(2,3,5-trichloro-6-hydroxy-anilino)benzoic acid Formula: C13H7Cl3N2O5 MolecularWeight: 377.56408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)NC2=C(C(=CC(=C2Cl)Cl)Cl)O

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)NC2=C(C(=CC(=C2Cl)Cl)Cl)O

InChI

InChI=1S/C13H7Cl3N2O5/c14-7-4-8(15)12(19)11(10(7)16)17-9-2-1-5(18(22)23)3-6(9)13(20)21/h1-4,17,19H,(H,20,21)