4-nitro-3-[1-[3-[2-(trifluoromethyl)phenyl]propanoylamino]ethyl]benzoate

Systemtic Name: 4-nitro-3-[1-[3-[2-(trifluoromethyl)phenyl]propanoylamino]ethyl]benzoate Openeye Name: 4-nitro-3-[1-[3-[2-(trifluoromethyl)phenyl]propanoylamino]ethyl]benzoate CAS Name: 4-nitro-3-[1-[[1-oxo-3-[2-(trifluoromethyl)phenyl]propyl]amino]ethyl]benzoate IUPAC Name: 4-nitro-3-[1-[3-[2-(trifluoromethyl)phenyl]propanoylamino]ethyl]benzoate Traditional Name: 4-nitro-3-[1-[3-[2-(trifluoromethyl)phenyl]propanoylamino]ethyl]benzoate Formula: C19H16F3N2O5- MolecularWeight: 409.33595

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC(=C1)C(=O)[O-])[N+](=O)[O-])NC(=O)CCC2=CC=CC=C2C(F)(F)F

Isomeric SMILES

CC(C1=C(C=CC(=C1)C(=O)[O-])[N+](=O)[O-])NC(=O)CCC2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C19H17F3N2O5/c1-11(14-10-13(18(26)27)6-8-16(14)24(28)29)23-17(25)9-7-12-4-2-3-5-15(12)19(20,21)22/h2-6,8,10-11H,7,9H2,1H3,(H,23,25)(H,26,27)/p-1