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

Systemtic Name: propyl N-butyl-N-[2,6-dinitro-4-(trifluoromethyl)phenyl]carbamate Openeye Name: propyl N-butyl-N-[2,6-dinitro-4-(trifluoromethyl)phenyl]carbamate CAS Name: N-butyl-N-[2,6-dinitro-4-(trifluoromethyl)phenyl]carbamic acid propyl ester IUPAC Name: propyl N-butyl-N-[2,6-dinitro-4-(trifluoromethyl)phenyl]carbamate Traditional Name: N-butyl-N-[2,6-dinitro-4-(trifluoromethyl)phenyl]carbamic acid propyl ester Formula: C15H18F3N3O6 MolecularWeight: 393.31513

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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)OCCC

Isomeric SMILES

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

InChI

InChI=1S/C15H18F3N3O6/c1-3-5-6-19(14(22)27-7-4-2)13-11(20(23)24)8-10(15(16,17)18)9-12(13)21(25)26/h8-9H,3-7H2,1-2H3