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

Systemtic Name: [2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-methylpentanoate Openeye Name: [2-[2-nitro-4-(trifluoromethyl)anilino]-2-oxo-ethyl] 4-methylpentanoate CAS Name: 4-methylpentanoic acid [2-[2-nitro-4-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-nitro-4-(trifluoromethyl)anilino]-2-oxoethyl] 4-methylpentanoate Traditional Name: 4-methylvaleric acid [2-keto-2-[2-nitro-4-(trifluoromethyl)anilino]ethyl] ester Formula: C15H17F3N2O5 MolecularWeight: 362.30109

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17F3N2O5/c1-9(2)3-6-14(22)25-8-13(21)19-11-5-4-10(15(16,17)18)7-12(11)20(23)24/h4-5,7,9H,3,6,8H2,1-2H3,(H,19,21)