diethyl 2-acetamido-2-[[3-(trifluoromethyl)phenyl]diazenyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[[3-(trifluoromethyl)phenyl]diazenyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[3-(trifluoromethyl)phenyl]azo-propanedioate CAS Name: 2-acetamido-2-[3-(trifluoromethyl)phenyl]azopropanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[[3-(trifluoromethyl)phenyl]diazenyl]propanedioate Traditional Name: 2-acetamido-2-[3-(trifluoromethyl)phenyl]azo-malonic acid diethyl ester Formula: C16H18F3N3O5 MolecularWeight: 389.32643

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)(NC(=O)C)N=NC1=CC=CC(=C1)C(F)(F)F

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)(NC(=O)C)N=NC1=CC=CC(=C1)C(F)(F)F

InChI

InChI=1S/C16H18F3N3O5/c1-4-26-13(24)15(20-10(3)23,14(25)27-5-2)22-21-12-8-6-7-11(9-12)16(17,18)19/h6-9H,4-5H2,1-3H3,(H,20,23)