8-chloranyl-5-oxidanidyl-2-phenyl-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carbonitrile

Systemtic Name: 8-chloranyl-5-oxidanidyl-2-phenyl-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carbonitrile Openeye Name: 8-chloro-5-oxido-2-phenyl-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carbonitrile CAS Name: 8-chloro-5-oxido-2-phenyl-3-pyrazolo[5,1-c][1,2,4]benzotriazin-5-iumcarbonitrile IUPAC Name: 8-chloro-5-oxido-2-phenylpyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carbonitrile Traditional Name: 8-chloro-5-oxido-2-phenyl-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carbonitrile Formula: C16H8ClN5O MolecularWeight: 321.72062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN3C4=C(C=CC(=C4)Cl)[N+](=NC3=C2C#N)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NN3C4=C(C=CC(=C4)Cl)[N+](=NC3=C2C#N)[O-]

InChI

InChI=1S/C16H8ClN5O/c17-11-6-7-13-14(8-11)21-16(20-22(13)23)12(9-18)15(19-21)10-4-2-1-3-5-10/h1-8H