N'-butyl-N,N'-bis[4-nitro-3-(trifluoromethyl)phenyl]propanediamide

Systemtic Name: N'-butyl-N,N'-bis[4-nitro-3-(trifluoromethyl)phenyl]propanediamide Openeye Name: N'-butyl-N,N'-bis[4-nitro-3-(trifluoromethyl)phenyl]propanediamide CAS Name: N'-butyl-N,N'-bis[4-nitro-3-(trifluoromethyl)phenyl]propanediamide IUPAC Name: N'-butyl-N,N'-bis[4-nitro-3-(trifluoromethyl)phenyl]propanediamide Traditional Name: N'-butyl-N,N'-bis[4-nitro-3-(trifluoromethyl)phenyl]malonamide Formula: C21H18F6N4O6 MolecularWeight: 536.381239

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18F6N4O6/c1-2-3-8-29(13-5-7-17(31(36)37)15(10-13)21(25,26)27)19(33)11-18(32)28-12-4-6-16(30(34)35)14(9-12)20(22,23)24/h4-7,9-10H,2-3,8,11H2,1H3,(H,28,32)