methyl 3-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[4-chloro-3-(trifluoromethyl)anilino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C16H10ClF3N2O5 MolecularWeight: 402.70921

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H10ClF3N2O5/c1-27-15(24)9-4-8(5-11(6-9)22(25)26)14(23)21-10-2-3-13(17)12(7-10)16(18,19)20/h2-7H,1H3,(H,21,23)