[(2R)-1-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] cyclopropanecarboxylate

Systemtic Name: [(2R)-1-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] cyclopropanecarboxylate Openeye Name: [(1R)-1-methyl-2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxo-ethyl] cyclopropanecarboxylate CAS Name: cyclopropanecarboxylic acid [(2R)-1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] cyclopropanecarboxylate Traditional Name: cyclopropanecarboxylic acid [(1R)-2-keto-1-methyl-2-[4-nitro-2-(trifluoromethyl)anilino]ethyl] ester Formula: C14H13F3N2O5 MolecularWeight: 346.25863

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F)OC(=O)C2CC2

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F)OC(=O)C2CC2

InChI

InChI=1S/C14H13F3N2O5/c1-7(24-13(21)8-2-3-8)12(20)18-11-5-4-9(19(22)23)6-10(11)14(15,16)17/h4-8H,2-3H2,1H3,(H,18,20)/t7-/m1/s1