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

Systemtic Name: phenacyl 3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propanoate Openeye Name: phenacyl 3-[2-nitro-4-(trifluoromethyl)anilino]propanoate CAS Name: 3-[2-nitro-4-(trifluoromethyl)anilino]propanoic acid phenacyl ester IUPAC Name: phenacyl 3-[2-nitro-4-(trifluoromethyl)anilino]propanoate Traditional Name: 3-[2-nitro-4-(trifluoromethyl)anilino]propionic acid phenacyl ester Formula: C18H15F3N2O5 MolecularWeight: 396.31731

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15F3N2O5/c19-18(20,21)13-6-7-14(15(10-13)23(26)27)22-9-8-17(25)28-11-16(24)12-4-2-1-3-5-12/h1-7,10,22H,8-9,11H2