methyl 4-[3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propanoylamino]benzoate

Systemtic Name: methyl 4-[3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propanoylamino]benzoate Openeye Name: methyl 4-[3-[2-nitro-4-(trifluoromethyl)anilino]propanoylamino]benzoate CAS Name: 4-[[3-[2-nitro-4-(trifluoromethyl)anilino]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[2-nitro-4-(trifluoromethyl)anilino]propanoylamino]benzoate Traditional Name: 4-[3-[2-nitro-4-(trifluoromethyl)anilino]propanoylamino]benzoic acid methyl ester Formula: C18H16F3N3O5 MolecularWeight: 411.33195

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H16F3N3O5/c1-29-17(26)11-2-5-13(6-3-11)23-16(25)8-9-22-14-7-4-12(18(19,20)21)10-15(14)24(27)28/h2-7,10,22H,8-9H2,1H3,(H,23,25)