[(2R)-1-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 3-methylbut-2-enoate

Systemtic Name: [(2R)-1-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 3-methylbut-2-enoate Openeye Name: [(1R)-1-methyl-2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxo-ethyl] 3-methylbut-2-enoate CAS Name: 3-methyl-2-butenoic 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] 3-methylbut-2-enoate Traditional Name: 3-methylbut-2-enoic acid [(1R)-2-keto-1-methyl-2-[4-nitro-2-(trifluoromethyl)anilino]ethyl] ester Formula: C15H15F3N2O5 MolecularWeight: 360.28521

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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)C=C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C15H15F3N2O5/c1-8(2)6-13(21)25-9(3)14(22)19-12-5-4-10(20(23)24)7-11(12)15(16,17)18/h4-7,9H,1-3H3,(H,19,22)/t9-/m1/s1