6-chloranyl-1-[(4-nitrophenyl)methyl]-2-(trifluoromethyl)-2H-quinoline-3-carboxylic acid

Systemtic Name: 6-chloranyl-1-[(4-nitrophenyl)methyl]-2-(trifluoromethyl)-2H-quinoline-3-carboxylic acid Openeye Name: 6-chloro-1-[(4-nitrophenyl)methyl]-2-(trifluoromethyl)-2H-quinoline-3-carboxylic acid CAS Name: 6-chloro-1-[(4-nitrophenyl)methyl]-2-(trifluoromethyl)-2H-quinoline-3-carboxylic acid IUPAC Name: 6-chloro-1-[(4-nitrophenyl)methyl]-2-(trifluoromethyl)-2H-quinoline-3-carboxylic acid Traditional Name: 6-chloro-1-(4-nitrobenzyl)-2-(trifluoromethyl)-2H-quinoline-3-carboxylic acid Formula: C18H12ClF3N2O4 MolecularWeight: 412.74709

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C(C(=CC3=C2C=CC(=C3)Cl)C(=O)O)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CN2C(C(=CC3=C2C=CC(=C3)Cl)C(=O)O)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H12ClF3N2O4/c19-12-3-6-15-11(7-12)8-14(17(25)26)16(18(20,21)22)23(15)9-10-1-4-13(5-2-10)24(27)28/h1-8,16H,9H2,(H,25,26)