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

Systemtic Name: [2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] propanoate Openeye Name: [2-[2-nitro-4-(trifluoromethyl)anilino]-2-oxo-ethyl] propanoate CAS Name: propanoic acid [2-[2-nitro-4-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-nitro-4-(trifluoromethyl)anilino]-2-oxoethyl] propanoate Traditional Name: propionic acid [2-keto-2-[2-nitro-4-(trifluoromethyl)anilino]ethyl] ester Formula: C12H11F3N2O5 MolecularWeight: 320.22135

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11F3N2O5/c1-2-11(19)22-6-10(18)16-8-4-3-7(12(13,14)15)5-9(8)17(20)21/h3-5H,2,6H2,1H3,(H,16,18)