4-(4-nitroso-1-oxidanidyl-2-oxidanyl-5-phenethyl-pyrazol-1-ium-3-yl)benzenecarbonitrile

Systemtic Name: 4-(4-nitroso-1-oxidanidyl-2-oxidanyl-5-phenethyl-pyrazol-1-ium-3-yl)benzenecarbonitrile Openeye Name: 4-(2-hydroxy-4-nitroso-1-oxido-5-phenethyl-pyrazol-1-ium-3-yl)benzonitrile CAS Name: 4-(2-hydroxy-4-nitroso-1-oxido-5-phenethyl-3-pyrazol-1-iumyl)benzonitrile IUPAC Name: 4-(2-hydroxy-4-nitroso-1-oxido-5-phenethylpyrazol-1-ium-3-yl)benzonitrile Traditional Name: 4-(2-hydroxy-4-nitroso-1-oxido-5-phenethyl-pyrazol-1-ium-3-yl)benzonitrile Formula: C18H14N4O3 MolecularWeight: 334.32876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=[N+](N(C(=C2N=O)C3=CC=C(C=C3)C#N)O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCC2=[N+](N(C(=C2N=O)C3=CC=C(C=C3)C#N)O)[O-]

InChI

InChI=1S/C18H14N4O3/c19-12-14-6-9-15(10-7-14)18-17(20-23)16(21(24)22(18)25)11-8-13-4-2-1-3-5-13/h1-7,9-10,25H,8,11H2