2-[[2-nitro-4-(trifluoromethylsulfonyl)phenyl]amino]ethanoic acid

Systemtic Name: 2-[[2-nitro-4-(trifluoromethylsulfonyl)phenyl]amino]ethanoic acid Openeye Name: 2-[2-nitro-4-(trifluoromethylsulfonyl)anilino]acetic acid CAS Name: 2-[2-nitro-4-(trifluoromethylsulfonyl)anilino]acetic acid IUPAC Name: 2-[2-nitro-4-(trifluoromethylsulfonyl)anilino]acetic acid Traditional Name: 2-(2-nitro-4-triflyl-anilino)acetic acid Formula: C9H7F3N2O6S MolecularWeight: 328.22189

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)C(F)(F)F)[N+](=O)[O-])NCC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)C(F)(F)F)[N+](=O)[O-])NCC(=O)O

InChI

InChI=1S/C9H7F3N2O6S/c10-9(11,12)21(19,20)5-1-2-6(13-4-8(15)16)7(3-5)14(17)18/h1-3,13H,4H2,(H,15,16)