[3-(trifluoromethyl)phenyl]methyl 2-methyl-3-nitro-benzoate

Systemtic Name: [3-(trifluoromethyl)phenyl]methyl 2-methyl-3-nitro-benzoate Openeye Name: [3-(trifluoromethyl)phenyl]methyl 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [3-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [3-(trifluoromethyl)phenyl]methyl 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid [3-(trifluoromethyl)benzyl] ester Formula: C16H12F3NO4 MolecularWeight: 339.26599

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OCC2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OCC2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C16H12F3NO4/c1-10-13(6-3-7-14(10)20(22)23)15(21)24-9-11-4-2-5-12(8-11)16(17,18)19/h2-8H,9H2,1H3