(4-nitrophenyl) 1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: (4-nitrophenyl) 1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: (4-nitrophenyl) 1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid (4-nitrophenyl) ester Formula: C23H17F3N2O4 MolecularWeight: 442.38729

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)C3=CC=C(C=C3)C(F)(F)F)C(=O)OC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)C3=CC=C(C=C3)C(F)(F)F)C(=O)OC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H17F3N2O4/c24-23(25,26)17-7-5-16(6-8-17)21-20-4-2-1-3-15(20)13-14-27(21)22(29)32-19-11-9-18(10-12-19)28(30)31/h1-12,21H,13-14H2