methyl 3-nitro-5-[[4-(trifluoromethyloxy)phenyl]methylcarbamoyl]benzoate

Systemtic Name: methyl 3-nitro-5-[[4-(trifluoromethyloxy)phenyl]methylcarbamoyl]benzoate Openeye Name: methyl 3-nitro-5-[[4-(trifluoromethoxy)phenyl]methylcarbamoyl]benzoate CAS Name: 3-nitro-5-[oxo-[[4-(trifluoromethoxy)phenyl]methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-[[4-(trifluoromethoxy)phenyl]methylcarbamoyl]benzoate Traditional Name: 3-nitro-5-[[4-(trifluoromethoxy)benzyl]carbamoyl]benzoic acid methyl ester Formula: C17H13F3N2O6 MolecularWeight: 398.29013

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NCC2=CC=C(C=C2)OC(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NCC2=CC=C(C=C2)OC(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H13F3N2O6/c1-27-16(24)12-6-11(7-13(8-12)22(25)26)15(23)21-9-10-2-4-14(5-3-10)28-17(18,19)20/h2-8H,9H2,1H3,(H,21,23)