N-[(1R,2R)-2-isothiocyanatocyclohexyl]-4-nitro-benzamide

Systemtic Name: N-[(1R,2R)-2-isothiocyanatocyclohexyl]-4-nitro-benzamide Openeye Name: N-[(1R,2R)-2-isothiocyanatocyclohexyl]-4-nitro-benzamide CAS Name: N-[(1R,2R)-2-isothiocyanatocyclohexyl]-4-nitrobenzamide IUPAC Name: N-[(1R,2R)-2-isothiocyanatocyclohexyl]-4-nitrobenzamide Traditional Name: N-[(1R,2R)-2-isothiocyanatocyclohexyl]-4-nitro-benzamide 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-])N=C=S

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O3S/c18-14(10-5-7-11(8-6-10)17(19)20)16-13-4-2-1-3-12(13)15-9-21/h5-8,12-13H,1-4H2,(H,16,18)/t12-,13-/m1/s1