[2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl] 4-chloranyl-2-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl] 4-chloranyl-2-nitro-benzoate Openeye Name: [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 4-chloro-2-nitro-benzoate CAS Name: 4-chloro-2-nitrobenzoic acid [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 4-chloro-2-nitrobenzoate Traditional Name: 4-chloro-2-nitro-benzoic acid [2-keto-2-[3-(trifluoromethyl)anilino]ethyl] ester Formula: C16H10ClF3N2O5 MolecularWeight: 402.70921

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10ClF3N2O5/c17-10-4-5-12(13(7-10)22(25)26)15(24)27-8-14(23)21-11-3-1-2-9(6-11)16(18,19)20/h1-7H,8H2,(H,21,23)