ethyl 2-[[4-cyano-2-nitro-5-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethanoate

Systemtic Name: ethyl 2-[[4-cyano-2-nitro-5-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethanoate Openeye Name: ethyl 2-[4-cyano-2-nitro-5-(trifluoromethyl)anilino]-2-oxo-acetate CAS Name: 2-[4-cyano-2-nitro-5-(trifluoromethyl)anilino]-2-oxoacetic acid ethyl ester IUPAC Name: ethyl 2-[4-cyano-2-nitro-5-(trifluoromethyl)anilino]-2-oxoacetate Traditional Name: 2-[4-cyano-2-nitro-5-(trifluoromethyl)anilino]-2-keto-acetic acid ethyl ester Formula: C12H8F3N3O5 MolecularWeight: 331.20423

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)NC1=C(C=C(C(=C1)C(F)(F)F)C#N)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(=O)NC1=C(C=C(C(=C1)C(F)(F)F)C#N)[N+](=O)[O-]

InChI

InChI=1S/C12H8F3N3O5/c1-2-23-11(20)10(19)17-8-4-7(12(13,14)15)6(5-16)3-9(8)18(21)22/h3-4H,2H2,1H3,(H,17,19)