3-(trifluoromethyl)-10aH-isoindolo[1,2-c][1,2,4]benzotriazin-12-ium-11-carbonitrile

Systemtic Name: 3-(trifluoromethyl)-10aH-isoindolo[1,2-c][1,2,4]benzotriazin-12-ium-11-carbonitrile Openeye Name: 3-(trifluoromethyl)-10aH-isoindolo[1,2-c][1,2,4]benzotriazin-12-ium-11-carbonitrile CAS Name: 3-(trifluoromethyl)-10aH-isoindolo[1,2-c][1,2,4]benzotriazin-12-ium-11-carbonitrile IUPAC Name: 3-(trifluoromethyl)-10aH-isoindolo[1,2-c][1,2,4]benzotriazin-12-ium-11-carbonitrile Traditional Name: 3-(trifluoromethyl)-10aH-isoindolo[1,2-c][1,2,4]benzotriazin-12-ium-11-carbonitrile Formula: C16H8F3N4+ MolecularWeight: 313.25673

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2C(=C3N=NC4=C([N+]3=C2C#N)C=CC(=C4)C(F)(F)F)C=C1

Isomeric SMILES

C1=CC2C(=C3N=NC4=C([N+]3=C2C#N)C=CC(=C4)C(F)(F)F)C=C1

InChI

InChI=1S/C16H8F3N4/c17-16(18,19)9-5-6-13-12(7-9)21-22-15-11-4-2-1-3-10(11)14(8-20)23(13)15/h1-7,10H/q+1