2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]-(1-methoxyethyl)amino]propanenitrile

Systemtic Name: 2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]-(1-methoxyethyl)amino]propanenitrile Openeye Name: 2-[N-(1-methoxyethyl)-2,6-dinitro-4-(trifluoromethyl)anilino]propanenitrile CAS Name: 2-[N-(1-methoxyethyl)-2,6-dinitro-4-(trifluoromethyl)anilino]propanenitrile IUPAC Name: 2-[N-(1-methoxyethyl)-2,6-dinitro-4-(trifluoromethyl)anilino]propanenitrile Traditional Name: 2-[N-(1-methoxyethyl)-2,6-dinitro-4-(trifluoromethyl)anilino]propionitrile Formula: C13H13F3N4O5 MolecularWeight: 362.26133

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13F3N4O5/c1-7(6-17)18(8(2)25-3)12-10(19(21)22)4-9(13(14,15)16)5-11(12)20(23)24/h4-5,7-8H,1-3H3