(2-oxidanylidene-2-phenylazanyl-ethyl) 3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propanoate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propanoate Openeye Name: (2-anilino-2-oxo-ethyl) 3-[2-nitro-4-(trifluoromethyl)anilino]propanoate CAS Name: 3-[2-nitro-4-(trifluoromethyl)anilino]propanoic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 3-[2-nitro-4-(trifluoromethyl)anilino]propanoate Traditional Name: 3-[2-nitro-4-(trifluoromethyl)anilino]propionic acid (2-anilino-2-keto-ethyl) ester Formula: C18H16F3N3O5 MolecularWeight: 411.33195

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16F3N3O5/c19-18(20,21)12-6-7-14(15(10-12)24(27)28)22-9-8-17(26)29-11-16(25)23-13-4-2-1-3-5-13/h1-7,10,22H,8-9,11H2,(H,23,25)