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

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) (2R)-2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propanoate Openeye Name: (2-anilino-2-oxo-ethyl) (2R)-2-[2-nitro-4-(trifluoromethyl)anilino]propanoate CAS Name: (2R)-2-[2-nitro-4-(trifluoromethyl)anilino]propanoic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) (2R)-2-[2-nitro-4-(trifluoromethyl)anilino]propanoate Traditional Name: (2R)-2-[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:

CC(C(=O)OCC(=O)NC1=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)NC1=CC=CC=C1)NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H16F3N3O5/c1-11(17(26)29-10-16(25)23-13-5-3-2-4-6-13)22-14-8-7-12(18(19,20)21)9-15(14)24(27)28/h2-9,11,22H,10H2,1H3,(H,23,25)/t11-/m1/s1