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

Systemtic Name: [2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl] 4-chloranyl-3-nitro-benzoate Openeye Name: [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-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=CC(=C(C=C2)Cl)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

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

InChI

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