ethyl 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]-3-oxidanylidene-butanoate

Systemtic Name: ethyl 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]-3-oxidanylidene-butanoate Openeye Name: ethyl 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]-3-oxo-butanoate CAS Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]-3-oxobutanoate Traditional Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]-3-keto-butyric acid ethyl ester Formula: C13H11F3N2O7 MolecularWeight: 364.23085

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])C(=O)C

Isomeric SMILES

CCOC(=O)C(C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])C(=O)C

InChI

InChI=1S/C13H11F3N2O7/c1-3-25-12(20)10(6(2)19)11-8(17(21)22)4-7(13(14,15)16)5-9(11)18(23)24/h4-5,10H,3H2,1-2H3