2-(2-methylpropyl)-N,N'-bis[4-nitro-3-(trifluoromethyl)phenyl]propanediamide

Systemtic Name: 2-(2-methylpropyl)-N,N'-bis[4-nitro-3-(trifluoromethyl)phenyl]propanediamide Openeye Name: 2-isobutyl-N,N'-bis[4-nitro-3-(trifluoromethyl)phenyl]propanediamide CAS Name: 2-(2-methylpropyl)-N,N'-bis[4-nitro-3-(trifluoromethyl)phenyl]propanediamide IUPAC Name: 2-(2-methylpropyl)-N,N'-bis[4-nitro-3-(trifluoromethyl)phenyl]propanediamide Traditional Name: 2-isobutyl-N,N'-bis[4-nitro-3-(trifluoromethyl)phenyl]malonamide Formula: C21H18F6N4O6 MolecularWeight: 536.381239

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F)C(=O)NC2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CC(C)CC(C(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F)C(=O)NC2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C21H18F6N4O6/c1-10(2)7-13(18(32)28-11-3-5-16(30(34)35)14(8-11)20(22,23)24)19(33)29-12-4-6-17(31(36)37)15(9-12)21(25,26)27/h3-6,8-10,13H,7H2,1-2H3,(H,28,32)(H,29,33)