(2S,3S)-2-(3-nitrophenyl)-1-(4-oxidanylcyclohexyl)-4-oxidanylidene-azetidine-3-carbonitrile

Systemtic Name: (2S,3S)-2-(3-nitrophenyl)-1-(4-oxidanylcyclohexyl)-4-oxidanylidene-azetidine-3-carbonitrile Openeye Name: (2S,3S)-1-(4-hydroxycyclohexyl)-2-(3-nitrophenyl)-4-oxo-azetidine-3-carbonitrile CAS Name: (2S,3S)-1-(4-hydroxycyclohexyl)-2-(3-nitrophenyl)-4-oxo-3-azetidinecarbonitrile IUPAC Name: (2S,3S)-1-(4-hydroxycyclohexyl)-2-(3-nitrophenyl)-4-oxoazetidine-3-carbonitrile Traditional Name: (3S,4S)-1-(4-hydroxycyclohexyl)-2-keto-4-(3-nitrophenyl)azetidine-3-carbonitrile Formula: C16H17N3O4 MolecularWeight: 315.32388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N2C(C(C2=O)C#N)C3=CC(=CC=C3)[N+](=O)[O-])O

Isomeric SMILES

C1CC(CCC1N2[C@@H]([C@H](C2=O)C#N)C3=CC(=CC=C3)[N+](=O)[O-])O

InChI

InChI=1S/C16H17N3O4/c17-9-14-15(10-2-1-3-12(8-10)19(22)23)18(16(14)21)11-4-6-13(20)7-5-11/h1-3,8,11,13-15,20H,4-7H2/t11?,13?,14-,15-/m1/s1