[(1R,2R)-2-[(4-nitrophenyl)carbonylamino]cyclohexyl] thiocyanate

Systemtic Name: [(1R,2R)-2-[(4-nitrophenyl)carbonylamino]cyclohexyl] thiocyanate Openeye Name: [(1R,2R)-2-[(4-nitrobenzoyl)amino]cyclohexyl] thiocyanate CAS Name: thiocyanic acid [(1R,2R)-2-[[(4-nitrophenyl)-oxomethyl]amino]cyclohexyl] ester IUPAC Name: [(1R,2R)-2-[(4-nitrobenzoyl)amino]cyclohexyl] thiocyanate Traditional Name: thiocyanic acid [(1R,2R)-2-[(4-nitrobenzoyl)amino]cyclohexyl] ester Formula: C14H15N3O3S MolecularWeight: 305.3522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])SC#N

Isomeric SMILES

C1CC[C@H]([C@@H](C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])SC#N

InChI

InChI=1S/C14H15N3O3S/c15-9-21-13-4-2-1-3-12(13)16-14(18)10-5-7-11(8-6-10)17(19)20/h5-8,12-13H,1-4H2,(H,16,18)/t12-,13-/m1/s1