(2-nitrophenyl)methyl 4-(trifluoromethyl)quinoline-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC(=O)C2=C(C3=CC=CC=C3N=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)COC(=O)C2=C(C3=CC=CC=C3N=C2)C(F)(F)F)[N+](=O)[O-]

InChI

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