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

Systemtic Name: methyl 3-[3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propanoylamino]-3-phenyl-propanoate Openeye Name: methyl 3-[3-[2-nitro-4-(trifluoromethyl)anilino]propanoylamino]-3-phenyl-propanoate CAS Name: 3-[[3-[2-nitro-4-(trifluoromethyl)anilino]-1-oxopropyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[3-[2-nitro-4-(trifluoromethyl)anilino]propanoylamino]-3-phenylpropanoate Traditional Name: 3-[3-[2-nitro-4-(trifluoromethyl)anilino]propanoylamino]-3-phenyl-propionic acid methyl ester Formula: C20H20F3N3O5 MolecularWeight: 439.38511

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20F3N3O5/c1-31-19(28)12-16(13-5-3-2-4-6-13)25-18(27)9-10-24-15-8-7-14(20(21,22)23)11-17(15)26(29)30/h2-8,11,16,24H,9-10,12H2,1H3,(H,25,27)