[4-[(7-chloranyl-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]phenyl] thiocyanate

Systemtic Name: [4-[(7-chloranyl-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]phenyl] thiocyanate Openeye Name: [4-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]phenyl] thiocyanate CAS Name: thiocyanic acid [4-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]phenyl] ester IUPAC Name: [4-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-[(7-chloro-4-nitro-benzofurazan-5-yl)amino]phenyl] ester Formula: C13H6ClN5O3S MolecularWeight: 347.73644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=C(C3=NON=C3C(=C2)Cl)[N+](=O)[O-])SC#N

Isomeric SMILES

C1=CC(=CC=C1NC2=C(C3=NON=C3C(=C2)Cl)[N+](=O)[O-])SC#N

InChI

InChI=1S/C13H6ClN5O3S/c14-9-5-10(13(19(20)21)12-11(9)17-22-18-12)16-7-1-3-8(4-2-7)23-6-15/h1-5,16H