dimethyl (2E)-2-[[3,5-bis(trifluoromethyl)phenyl]carbonylhydrazinylidene]butanedioate

Systemtic Name: dimethyl (2E)-2-[[3,5-bis(trifluoromethyl)phenyl]carbonylhydrazinylidene]butanedioate Openeye Name: dimethyl (2E)-2-[[3,5-bis(trifluoromethyl)benzoyl]hydrazono]butanedioate CAS Name: (2E)-2-[[[3,5-bis(trifluoromethyl)phenyl]-oxomethyl]hydrazinylidene]butanedioic acid dimethyl ester IUPAC Name: dimethyl (2E)-2-[[3,5-bis(trifluoromethyl)benzoyl]hydrazinylidene]butanedioate Traditional Name: (2E)-2-[[3,5-bis(trifluoromethyl)benzoyl]hydrazono]succinic acid dimethyl ester Formula: C15H12F6N2O5 MolecularWeight: 414.256599

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=NNC(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C(=O)OC

Isomeric SMILES

COC(=O)C/C(=N\NC(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)/C(=O)OC

InChI

InChI=1S/C15H12F6N2O5/c1-27-11(24)6-10(13(26)28-2)22-23-12(25)7-3-8(14(16,17)18)5-9(4-7)15(19,20)21/h3-5H,6H2,1-2H3,(H,23,25)/b22-10+