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

Systemtic Name: [2-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-methylpropanoate Openeye Name: [2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxo-ethyl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [2-keto-2-[4-nitro-2-(trifluoromethyl)anilino]ethyl] ester Formula: C13H13F3N2O5 MolecularWeight: 334.24793

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13F3N2O5/c1-7(2)12(20)23-6-11(19)17-10-4-3-8(18(21)22)5-9(10)13(14,15)16/h3-5,7H,6H2,1-2H3,(H,17,19)