5-azanyl-6-nitro-8-(trifluoromethyl)quinoline-2-carboxylic acid

Systemtic Name: 5-azanyl-6-nitro-8-(trifluoromethyl)quinoline-2-carboxylic acid Openeye Name: 5-amino-6-nitro-8-(trifluoromethyl)quinoline-2-carboxylic acid CAS Name: 5-amino-6-nitro-8-(trifluoromethyl)-2-quinolinecarboxylic acid IUPAC Name: 5-amino-6-nitro-8-(trifluoromethyl)quinoline-2-carboxylic acid Traditional Name: 5-amino-6-nitro-8-(trifluoromethyl)quinaldic acid Formula: C11H6F3N3O4 MolecularWeight: 301.17825

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC2=C1C(=C(C=C2C(F)(F)F)[N+](=O)[O-])N)C(=O)O

Isomeric SMILES

C1=CC(=NC2=C1C(=C(C=C2C(F)(F)F)[N+](=O)[O-])N)C(=O)O

InChI

InChI=1S/C11H6F3N3O4/c12-11(13,14)5-3-7(17(20)21)8(15)4-1-2-6(10(18)19)16-9(4)5/h1-3H,15H2,(H,18,19)