2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]-propyl-amino]ethanenitrile

Systemtic Name: 2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]-propyl-amino]ethanenitrile Openeye Name: 2-[2,6-dinitro-N-propyl-4-(trifluoromethyl)anilino]acetonitrile CAS Name: 2-[2,6-dinitro-N-propyl-4-(trifluoromethyl)anilino]acetonitrile IUPAC Name: 2-[2,6-dinitro-N-propyl-4-(trifluoromethyl)anilino]acetonitrile Traditional Name: 2-[2,6-dinitro-N-propyl-4-(trifluoromethyl)anilino]acetonitrile Formula: C12H11F3N4O4 MolecularWeight: 332.23535

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11F3N4O4/c1-2-4-17(5-3-16)11-9(18(20)21)6-8(12(13,14)15)7-10(11)19(22)23/h6-7H,2,4-5H2,1H3