[4-(trifluoromethyl)phenyl]methyl 4-(2-methoxyethylamino)-3-nitro-benzoate

Systemtic Name: [4-(trifluoromethyl)phenyl]methyl 4-(2-methoxyethylamino)-3-nitro-benzoate Openeye Name: [4-(trifluoromethyl)phenyl]methyl 4-(2-methoxyethylamino)-3-nitro-benzoate CAS Name: 4-(2-methoxyethylamino)-3-nitrobenzoic acid [4-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [4-(trifluoromethyl)phenyl]methyl 4-(2-methoxyethylamino)-3-nitrobenzoate Traditional Name: 4-(2-methoxyethylamino)-3-nitro-benzoic acid [4-(trifluoromethyl)benzyl] ester Formula: C18H17F3N2O5 MolecularWeight: 398.33319

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)C(=O)OCC2=CC=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COCCNC1=C(C=C(C=C1)C(=O)OCC2=CC=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H17F3N2O5/c1-27-9-8-22-15-7-4-13(10-16(15)23(25)26)17(24)28-11-12-2-5-14(6-3-12)18(19,20)21/h2-7,10,22H,8-9,11H2,1H3