[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-benzamidopropanoate

Systemtic Name: [2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-benzamidopropanoate Openeye Name: [2-[2-nitro-4-(trifluoromethyl)anilino]-2-oxo-ethyl] 2-benzamidopropanoate CAS Name: 2-benzamidopropanoic acid [2-[2-nitro-4-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-nitro-4-(trifluoromethyl)anilino]-2-oxoethyl] 2-benzamidopropanoate Traditional Name: 2-benzamidopropionic acid [2-keto-2-[2-nitro-4-(trifluoromethyl)anilino]ethyl] ester Formula: C19H16F3N3O6 MolecularWeight: 439.34205

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16F3N3O6/c1-11(23-17(27)12-5-3-2-4-6-12)18(28)31-10-16(26)24-14-8-7-13(19(20,21)22)9-15(14)25(29)30/h2-9,11H,10H2,1H3,(H,23,27)(H,24,26)