[(2S)-1-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 5-methyl-2-phenyl-1,2,3-triazole-4-carboxylate

Systemtic Name: [(2S)-1-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 5-methyl-2-phenyl-1,2,3-triazole-4-carboxylate Openeye Name: [(1S)-1-methyl-2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxo-ethyl] 5-methyl-2-phenyl-triazole-4-carboxylate CAS Name: 5-methyl-2-phenyl-4-triazolecarboxylic acid [(2S)-1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 5-methyl-2-phenyltriazole-4-carboxylate Traditional Name: 5-methyl-2-phenyl-triazole-4-carboxylic acid [(1S)-2-keto-1-methyl-2-[4-nitro-2-(trifluoromethyl)anilino]ethyl] ester Formula: C20H16F3N5O5 MolecularWeight: 463.36675

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)OC(C)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(N=C1C(=O)O[C@@H](C)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C20H16F3N5O5/c1-11-17(26-27(25-11)13-6-4-3-5-7-13)19(30)33-12(2)18(29)24-16-9-8-14(28(31)32)10-15(16)20(21,22)23/h3-10,12H,1-2H3,(H,24,29)/t12-/m0/s1