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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)C1=CC=CC=C1)NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)OCC(=O)C1=CC=CC=C1)NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H15F3N2O5/c1-11(17(25)28-10-16(24)12-5-3-2-4-6-12)22-14-8-7-13(18(19,20)21)9-15(14)23(26)27/h2-9,11,22H,10H2,1H3/t11-/m1/s1