2-[2,6-dinitro-4-(trifluoromethyl)phenyl]-1-(2-isocyanoethyl)-1-phenyl-diazane

Systemtic Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]-1-(2-isocyanoethyl)-1-phenyl-diazane Openeye Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]-1-(2-isocyanoethyl)-1-phenyl-hydrazine CAS Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]-1-(2-isocyanoethyl)-1-phenylhydrazine IUPAC Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]-1-(2-isocyanoethyl)-1-phenylhydrazine Traditional Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]-1-(2-isocyanoethyl)-1-phenyl-hydrazine Formula: C16H12F3N5O4 MolecularWeight: 395.29279

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]CCN(C1=CC=CC=C1)NC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

[C-]#[N+]CCN(C1=CC=CC=C1)NC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H12F3N5O4/c1-20-7-8-22(12-5-3-2-4-6-12)21-15-13(23(25)26)9-11(16(17,18)19)10-14(15)24(27)28/h2-6,9-10,21H,7-8H2