[3-(trifluoromethyl)phenyl]methyl 2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoate

Systemtic Name: [3-(trifluoromethyl)phenyl]methyl 2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoate Openeye Name: [3-(trifluoromethyl)phenyl]methyl 2-(4-chloro-3-nitro-benzoyl)benzoate CAS Name: 2-[(4-chloro-3-nitrophenyl)-oxomethyl]benzoic acid [3-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [3-(trifluoromethyl)phenyl]methyl 2-(4-chloro-3-nitrobenzoyl)benzoate Traditional Name: 2-(4-chloro-3-nitro-benzoyl)benzoic acid [3-(trifluoromethyl)benzyl] ester Formula: C22H13ClF3NO5 MolecularWeight: 463.79053

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)OCC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)OCC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C22H13ClF3NO5/c23-18-9-8-14(11-19(18)27(30)31)20(28)16-6-1-2-7-17(16)21(29)32-12-13-4-3-5-15(10-13)22(24,25)26/h1-11H,12H2