N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2,6-dinitro-4-(trifluoromethyl)aniline

Systemtic Name: N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2,6-dinitro-4-(trifluoromethyl)aniline Openeye Name: N-[(Z)-indan-1-ylideneamino]-2,6-dinitro-4-(trifluoromethyl)aniline CAS Name: N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2,6-dinitro-4-(trifluoromethyl)aniline IUPAC Name: N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2,6-dinitro-4-(trifluoromethyl)aniline Traditional Name: [2,6-dinitro-4-(trifluoromethyl)phenyl]-[(Z)-indan-1-ylideneamino]amine Formula: C16H11F3N4O4 MolecularWeight: 380.27815

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=NNC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])C3=CC=CC=C31

Isomeric SMILES

C1C/C(=N/NC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])/C3=CC=CC=C31

InChI

InChI=1S/C16H11F3N4O4/c17-16(18,19)10-7-13(22(24)25)15(14(8-10)23(26)27)21-20-12-6-5-9-3-1-2-4-11(9)12/h1-4,7-8,21H,5-6H2/b20-12-