N-[(4-cyanophenyl)methyl]-N'-[4-nitro-3-(trifluoromethyl)phenyl]propanediamide

Systemtic Name: N-[(4-cyanophenyl)methyl]-N'-[4-nitro-3-(trifluoromethyl)phenyl]propanediamide Openeye Name: N-[(4-cyanophenyl)methyl]-N'-[4-nitro-3-(trifluoromethyl)phenyl]propanediamide CAS Name: N-[(4-cyanophenyl)methyl]-N'-[4-nitro-3-(trifluoromethyl)phenyl]propanediamide IUPAC Name: N-[(4-cyanophenyl)methyl]-N'-[4-nitro-3-(trifluoromethyl)phenyl]propanediamide Traditional Name: N-(4-cyanobenzyl)-N'-[4-nitro-3-(trifluoromethyl)phenyl]malonamide Formula: C18H13F3N4O4 MolecularWeight: 406.31543

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)CC(=O)NC2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)C#N

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)CC(=O)NC2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)C#N

InChI

InChI=1S/C18H13F3N4O4/c19-18(20,21)14-7-13(5-6-15(14)25(28)29)24-17(27)8-16(26)23-10-12-3-1-11(9-22)2-4-12/h1-7H,8,10H2,(H,23,26)(H,24,27)