4-[(5-nitro-2-oxidanyl-phenyl)amino]-8-(trifluoromethyl)quinoline-3-carboxylic acid

Systemtic Name: 4-[(5-nitro-2-oxidanyl-phenyl)amino]-8-(trifluoromethyl)quinoline-3-carboxylic acid Openeye Name: 4-(2-hydroxy-5-nitro-anilino)-8-(trifluoromethyl)quinoline-3-carboxylic acid CAS Name: 4-(2-hydroxy-5-nitroanilino)-8-(trifluoromethyl)-3-quinolinecarboxylic acid IUPAC Name: 4-(2-hydroxy-5-nitroanilino)-8-(trifluoromethyl)quinoline-3-carboxylic acid Traditional Name: 4-(2-hydroxy-5-nitro-anilino)-8-(trifluoromethyl)quinoline-3-carboxylic acid Formula: C17H10F3N3O5 MolecularWeight: 393.27361

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=CN=C2C(=C1)C(F)(F)F)C(=O)O)NC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

C1=CC2=C(C(=CN=C2C(=C1)C(F)(F)F)C(=O)O)NC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C17H10F3N3O5/c18-17(19,20)11-3-1-2-9-14(10(16(25)26)7-21-15(9)11)22-12-6-8(23(27)28)4-5-13(12)24/h1-7,24H,(H,21,22)(H,25,26)