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

Systemtic Name: [2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-oxidanylidenepentanoate Openeye Name: [2-[2-nitro-4-(trifluoromethyl)anilino]-2-oxo-ethyl] 4-oxopentanoate CAS Name: 4-oxopentanoic acid [2-[2-nitro-4-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-nitro-4-(trifluoromethyl)anilino]-2-oxoethyl] 4-oxopentanoate Traditional Name: 4-ketovaleric acid [2-keto-2-[2-nitro-4-(trifluoromethyl)anilino]ethyl] ester Formula: C14H13F3N2O6 MolecularWeight: 362.25803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13F3N2O6/c1-8(20)2-5-13(22)25-7-12(21)18-10-4-3-9(14(15,16)17)6-11(10)19(23)24/h3-4,6H,2,5,7H2,1H3,(H,18,21)