1-(5-nitroisoquinolin-1-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanimine

Systemtic Name: 1-(5-nitroisoquinolin-1-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanimine Openeye Name: 1-(5-nitro-1-isoquinolyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanimine CAS Name: 1-(5-nitro-1-isoquinolinyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanimine IUPAC Name: 1-(5-nitroisoquinolin-1-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanimine Traditional Name: (5-nitro-1-isoquinolyl)methylene-[2-(trifluoromethyl)benzyl]amine Formula: C18H12F3N3O2 MolecularWeight: 359.30199

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN=CC2=NC=CC3=C2C=CC=C3[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)CN=CC2=NC=CC3=C2C=CC=C3[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C18H12F3N3O2/c19-18(20,21)15-6-2-1-4-12(15)10-22-11-16-13-5-3-7-17(24(25)26)14(13)8-9-23-16/h1-9,11H,10H2