methyl 3-[[5-chloranyl-2-[2,2,2-tris(fluoranyl)ethoxy]phenyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[5-chloranyl-2-[2,2,2-tris(fluoranyl)ethoxy]phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[5-chloro-2-(2,2,2-trifluoroethoxy)anilino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C17H12ClF3N2O6 MolecularWeight: 432.73519

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12ClF3N2O6/c1-28-16(25)10-4-9(5-12(6-10)23(26)27)15(24)22-13-7-11(18)2-3-14(13)29-8-17(19,20)21/h2-7H,8H2,1H3,(H,22,24)