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

Systemtic Name: [2-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] pentanoate Openeye Name: [2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxo-ethyl] pentanoate CAS Name: pentanoic acid [2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxoethyl] pentanoate Traditional Name: valeric acid [2-keto-2-[4-nitro-2-(trifluoromethyl)anilino]ethyl] ester Formula: C14H15F3N2O5 MolecularWeight: 348.27451

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15F3N2O5/c1-2-3-4-13(21)24-8-12(20)18-11-6-5-9(19(22)23)7-10(11)14(15,16)17/h5-7H,2-4,8H2,1H3,(H,18,20)