diethyl 2-[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethyliminomethyl]propanedioate

Systemtic Name: diethyl 2-[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethyliminomethyl]propanedioate Openeye Name: diethyl 2-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyliminomethyl]propanedioate CAS Name: 2-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyliminomethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyliminomethyl]propanedioate Traditional Name: 2-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyliminomethyl]malonic acid diethyl ester Formula: C17H20F3N3O6 MolecularWeight: 419.35241

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C=NCCNC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C=NCCNC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C17H20F3N3O6/c1-3-28-15(24)12(16(25)29-4-2)10-21-7-8-22-13-6-5-11(17(18,19)20)9-14(13)23(26)27/h5-6,9-10,12,22H,3-4,7-8H2,1-2H3