2,6-dinitro-N-[(E)-1-(10H-phenothiazin-2-yl)ethylideneamino]-3-(trifluoromethyl)aniline

Systemtic Name: 2,6-dinitro-N-[(E)-1-(10H-phenothiazin-2-yl)ethylideneamino]-3-(trifluoromethyl)aniline Openeye Name: 2,6-dinitro-N-[(E)-1-(10H-phenothiazin-2-yl)ethylideneamino]-3-(trifluoromethyl)aniline CAS Name: 2,6-dinitro-N-[(E)-1-(10H-phenothiazin-2-yl)ethylideneamino]-3-(trifluoromethyl)aniline IUPAC Name: 2,6-dinitro-N-[(E)-1-(10H-phenothiazin-2-yl)ethylideneamino]-3-(trifluoromethyl)aniline Traditional Name: [2,6-dinitro-3-(trifluoromethyl)phenyl]-[(E)-1-(10H-phenothiazin-2-yl)ethylideneamino]amine Formula: C21H14F3N5O4S MolecularWeight: 489.42717

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=C(C=CC(=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])C2=CC3=C(C=C2)SC4=CC=CC=C4N3

Isomeric SMILES

C/C(=N\NC1=C(C=CC(=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])/C2=CC3=C(C=C2)SC4=CC=CC=C4N3

InChI

InChI=1S/C21H14F3N5O4S/c1-11(12-6-9-18-15(10-12)25-14-4-2-3-5-17(14)34-18)26-27-19-16(28(30)31)8-7-13(21(22,23)24)20(19)29(32)33/h2-10,25,27H,1H3/b26-11+