N-butyl-N-[2,6-dinitro-4-(trifluoromethyl)phenyl]propanamide

Systemtic Name: N-butyl-N-[2,6-dinitro-4-(trifluoromethyl)phenyl]propanamide Openeye Name: N-butyl-N-[2,6-dinitro-4-(trifluoromethyl)phenyl]propanamide CAS Name: N-butyl-N-[2,6-dinitro-4-(trifluoromethyl)phenyl]propanamide IUPAC Name: N-butyl-N-[2,6-dinitro-4-(trifluoromethyl)phenyl]propanamide Traditional Name: N-butyl-N-[2,6-dinitro-4-(trifluoromethyl)phenyl]propionamide Formula: C14H16F3N3O5 MolecularWeight: 363.28915

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16F3N3O5/c1-3-5-6-18(12(21)4-2)13-10(19(22)23)7-9(14(15,16)17)8-11(13)20(24)25/h7-8H,3-6H2,1-2H3