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

Systemtic Name: methyl 2-[3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propanoylamino]ethanoate Openeye Name: methyl 2-[3-[2-nitro-4-(trifluoromethyl)anilino]propanoylamino]acetate CAS Name: 2-[[3-[2-nitro-4-(trifluoromethyl)anilino]-1-oxopropyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[3-[2-nitro-4-(trifluoromethyl)anilino]propanoylamino]acetate Traditional Name: 2-[3-[2-nitro-4-(trifluoromethyl)anilino]propanoylamino]acetic acid methyl ester Formula: C13H14F3N3O5 MolecularWeight: 349.26257

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)CCNC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CNC(=O)CCNC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H14F3N3O5/c1-24-12(21)7-18-11(20)4-5-17-9-3-2-8(13(14,15)16)6-10(9)19(22)23/h2-3,6,17H,4-5,7H2,1H3,(H,18,20)