4-[(4-nitrophenyl)methyl]-2-(trifluoromethyl)quinoline-3-carboxylic acid

Systemtic Name: 4-[(4-nitrophenyl)methyl]-2-(trifluoromethyl)quinoline-3-carboxylic acid Openeye Name: 4-[(4-nitrophenyl)methyl]-2-(trifluoromethyl)quinoline-3-carboxylic acid CAS Name: 4-[(4-nitrophenyl)methyl]-2-(trifluoromethyl)-3-quinolinecarboxylic acid IUPAC Name: 4-[(4-nitrophenyl)methyl]-2-(trifluoromethyl)quinoline-3-carboxylic acid Traditional Name: 4-(4-nitrobenzyl)-2-(trifluoromethyl)quinoline-3-carboxylic acid Formula: C18H11F3N2O4 MolecularWeight: 376.28615

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(C(=N2)C(F)(F)F)C(=O)O)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(C(=N2)C(F)(F)F)C(=O)O)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H11F3N2O4/c19-18(20,21)16-15(17(24)25)13(12-3-1-2-4-14(12)22-16)9-10-5-7-11(8-6-10)23(26)27/h1-8H,9H2,(H,24,25)