2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]-prop-2-enyl-amino]propanenitrile

Systemtic Name: 2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]-prop-2-enyl-amino]propanenitrile Openeye Name: 2-[N-allyl-2,6-dinitro-4-(trifluoromethyl)anilino]propanenitrile CAS Name: 2-[2,6-dinitro-N-prop-2-enyl-4-(trifluoromethyl)anilino]propanenitrile IUPAC Name: 2-[2,6-dinitro-N-prop-2-enyl-4-(trifluoromethyl)anilino]propanenitrile Traditional Name: 2-[N-allyl-2,6-dinitro-4-(trifluoromethyl)anilino]propionitrile Formula: C13H11F3N4O4 MolecularWeight: 344.24605

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11F3N4O4/c1-3-4-18(8(2)7-17)12-10(19(21)22)5-9(13(14,15)16)6-11(12)20(23)24/h3,5-6,8H,1,4H2,2H3