methyl 3-nitro-5-[2-[[4-(trifluoromethyl)phenyl]carbonylamino]ethylcarbamoyl]benzoate

Systemtic Name: methyl 3-nitro-5-[2-[[4-(trifluoromethyl)phenyl]carbonylamino]ethylcarbamoyl]benzoate Openeye Name: methyl 3-nitro-5-[2-[[4-(trifluoromethyl)benzoyl]amino]ethylcarbamoyl]benzoate CAS Name: 3-nitro-5-[oxo-[2-[[oxo-[4-(trifluoromethyl)phenyl]methyl]amino]ethylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-[2-[[4-(trifluoromethyl)benzoyl]amino]ethylcarbamoyl]benzoate Traditional Name: 3-nitro-5-[2-[[4-(trifluoromethyl)benzoyl]amino]ethylcarbamoyl]benzoic acid methyl ester Formula: C19H16F3N3O6 MolecularWeight: 439.34205

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16F3N3O6/c1-31-18(28)13-8-12(9-15(10-13)25(29)30)17(27)24-7-6-23-16(26)11-2-4-14(5-3-11)19(20,21)22/h2-5,8-10H,6-7H2,1H3,(H,23,26)(H,24,27)