[2-oxidanylidene-2-[[4-(trifluoromethyl)phenyl]amino]ethyl] 2-(dimethylamino)-5-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[[4-(trifluoromethyl)phenyl]amino]ethyl] 2-(dimethylamino)-5-nitro-benzoate Openeye Name: [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(dimethylamino)-5-nitro-benzoate CAS Name: 2-(dimethylamino)-5-nitrobenzoic acid [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(dimethylamino)-5-nitrobenzoate Traditional Name: 2-(dimethylamino)-5-nitro-benzoic acid [2-keto-2-[4-(trifluoromethyl)anilino]ethyl] ester Formula: C18H16F3N3O5 MolecularWeight: 411.33195

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)NC2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)NC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C18H16F3N3O5/c1-23(2)15-8-7-13(24(27)28)9-14(15)17(26)29-10-16(25)22-12-5-3-11(4-6-12)18(19,20)21/h3-9H,10H2,1-2H3,(H,22,25)