4-azanyl-3-fluoranyl-2-[[2-methyl-4-(trifluoromethyloxy)phenyl]amino]-5-nitro-benzoic acid

Systemtic Name: 4-azanyl-3-fluoranyl-2-[[2-methyl-4-(trifluoromethyloxy)phenyl]amino]-5-nitro-benzoic acid Openeye Name: 4-amino-3-fluoro-2-[2-methyl-4-(trifluoromethoxy)anilino]-5-nitro-benzoic acid CAS Name: 4-amino-3-fluoro-2-[2-methyl-4-(trifluoromethoxy)anilino]-5-nitrobenzoic acid IUPAC Name: 4-amino-3-fluoro-2-[2-methyl-4-(trifluoromethoxy)anilino]-5-nitrobenzoic acid Traditional Name: 4-amino-3-fluoro-2-[2-methyl-4-(trifluoromethoxy)anilino]-5-nitro-benzoic acid Formula: C15H11F4N3O5 MolecularWeight: 389.258553

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC(F)(F)F)NC2=C(C(=C(C=C2C(=O)O)[N+](=O)[O-])N)F

Isomeric SMILES

CC1=C(C=CC(=C1)OC(F)(F)F)NC2=C(C(=C(C=C2C(=O)O)[N+](=O)[O-])N)F

InChI

InChI=1S/C15H11F4N3O5/c1-6-4-7(27-15(17,18)19)2-3-9(6)21-13-8(14(23)24)5-10(22(25)26)12(20)11(13)16/h2-5,21H,20H2,1H3,(H,23,24)