[2,2-dicyano-1-(4-nitrophenyl)-2-oxidanyl-ethyl] thiocyanate

Systemtic Name: [2,2-dicyano-1-(4-nitrophenyl)-2-oxidanyl-ethyl] thiocyanate Openeye Name: [2,2-dicyano-2-hydroxy-1-(4-nitrophenyl)ethyl] thiocyanate CAS Name: thiocyanic acid [2,2-dicyano-2-hydroxy-1-(4-nitrophenyl)ethyl] ester IUPAC Name: [2,2-dicyano-2-hydroxy-1-(4-nitrophenyl)ethyl] thiocyanate Traditional Name: thiocyanic acid [2,2-dicyano-2-hydroxy-1-(4-nitrophenyl)ethyl] ester Formula: C11H6N4O3S MolecularWeight: 274.25534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C(C#N)(C#N)O)SC#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(C(C#N)(C#N)O)SC#N)[N+](=O)[O-]

InChI

InChI=1S/C11H6N4O3S/c12-5-11(16,6-13)10(19-7-14)8-1-3-9(4-2-8)15(17)18/h1-4,10,16H