(3-methyl-4-nitro-phenyl) 4-(trifluoromethyl)benzoate

Systemtic Name: (3-methyl-4-nitro-phenyl) 4-(trifluoromethyl)benzoate Openeye Name: (3-methyl-4-nitro-phenyl) 4-(trifluoromethyl)benzoate CAS Name: 4-(trifluoromethyl)benzoic acid (3-methyl-4-nitrophenyl) ester IUPAC Name: (3-methyl-4-nitrophenyl) 4-(trifluoromethyl)benzoate Traditional Name: 4-(trifluoromethyl)benzoic acid (3-methyl-4-nitro-phenyl) ester Formula: C15H10F3NO4 MolecularWeight: 325.23941

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H10F3NO4/c1-9-8-12(6-7-13(9)19(21)22)23-14(20)10-2-4-11(5-3-10)15(16,17)18/h2-8H,1H3