2-[8-nitro-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]ethanoic acid

Systemtic Name: 2-[8-nitro-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]ethanoic acid Openeye Name: 2-[8-nitro-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetic acid CAS Name: 2-[8-nitro-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetic acid IUPAC Name: 2-[8-nitro-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetic acid Traditional Name: 2-[8-nitro-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetic acid Formula: C12H11F3N2O4 MolecularWeight: 304.22195

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC(=CC(=C2NC1C(F)(F)F)[N+](=O)[O-])CC(=O)O

Isomeric SMILES

C1CC2=CC(=CC(=C2NC1C(F)(F)F)[N+](=O)[O-])CC(=O)O

InChI

InChI=1S/C12H11F3N2O4/c13-12(14,15)9-2-1-7-3-6(5-10(18)19)4-8(17(20)21)11(7)16-9/h3-4,9,16H,1-2,5H2,(H,18,19)