3-[[1-[(3-carboxyphenyl)amino]-2,2,2-tris(chloranyl)ethyl]amino]benzoic acid

Systemtic Name: 3-[[1-[(3-carboxyphenyl)amino]-2,2,2-tris(chloranyl)ethyl]amino]benzoic acid Openeye Name: 3-[[1-(3-carboxyanilino)-2,2,2-trichloro-ethyl]amino]benzoic acid CAS Name: 3-[[1-(3-carboxyanilino)-2,2,2-trichloroethyl]amino]benzoic acid IUPAC Name: 3-[[1-(3-carboxyanilino)-2,2,2-trichloroethyl]amino]benzoic acid Traditional Name: 3-[[1-(3-carboxyanilino)-2,2,2-trichloro-ethyl]amino]benzoic acid Formula: C16H13Cl3N2O4 MolecularWeight: 403.64442

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(C(Cl)(Cl)Cl)NC2=CC=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(C(Cl)(Cl)Cl)NC2=CC=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C16H13Cl3N2O4/c17-16(18,19)15(20-11-5-1-3-9(7-11)13(22)23)21-12-6-2-4-10(8-12)14(24)25/h1-8,15,20-21H,(H,22,23)(H,24,25)