N-[(Z)-1H-isothiochromen-4-ylideneamino]-2,6-dinitro-4-(trifluoromethyl)aniline

Systemtic Name: N-[(Z)-1H-isothiochromen-4-ylideneamino]-2,6-dinitro-4-(trifluoromethyl)aniline Openeye Name: N-[(Z)-isothiochroman-4-ylideneamino]-2,6-dinitro-4-(trifluoromethyl)aniline CAS Name: N-[(Z)-1H-2-benzothiopyran-4-ylideneamino]-2,6-dinitro-4-(trifluoromethyl)aniline IUPAC Name: N-[(Z)-1H-isothiochromen-4-ylideneamino]-2,6-dinitro-4-(trifluoromethyl)aniline Traditional Name: [2,6-dinitro-4-(trifluoromethyl)phenyl]-[(Z)-isothiochroman-4-ylideneamino]amine Formula: C16H11F3N4O4S MolecularWeight: 412.34315

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=NNC3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CS1

Isomeric SMILES

C1C2=CC=CC=C2/C(=N/NC3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])/CS1

InChI

InChI=1S/C16H11F3N4O4S/c17-16(18,19)10-5-13(22(24)25)15(14(6-10)23(26)27)21-20-12-8-28-7-9-3-1-2-4-11(9)12/h1-6,21H,7-8H2/b20-12+