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

Systemtic Name: 4-nitro-3-[1-[3-[4-(trifluoromethyl)phenyl]propanoylamino]ethyl]benzoate Openeye Name: 4-nitro-3-[1-[3-[4-(trifluoromethyl)phenyl]propanoylamino]ethyl]benzoate CAS Name: 4-nitro-3-[1-[[1-oxo-3-[4-(trifluoromethyl)phenyl]propyl]amino]ethyl]benzoate IUPAC Name: 4-nitro-3-[1-[3-[4-(trifluoromethyl)phenyl]propanoylamino]ethyl]benzoate Traditional Name: 4-nitro-3-[1-[3-[4-(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=C(C=C2)C(F)(F)F

Isomeric SMILES

CC(C1=C(C=CC(=C1)C(=O)[O-])[N+](=O)[O-])NC(=O)CCC2=CC=C(C=C2)C(F)(F)F

InChI

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