N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-(4-chloranyl-2-nitro-phenoxy)-N-cyclohexyl-ethanamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-(4-chloranyl-2-nitro-phenoxy)-N-cyclohexyl-ethanamide Openeye Name: 2-(4-chloro-2-nitro-phenoxy)-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide CAS Name: 2-(4-chloro-2-nitrophenoxy)-N-cyclohexyl-N-(1,1-dioxo-3-thiolanyl)acetamide IUPAC Name: 2-(4-chloro-2-nitrophenoxy)-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide Traditional Name: 2-(4-chloro-2-nitro-phenoxy)-N-cyclohexyl-N-(1,1-diketothiolan-3-yl)acetamide Formula: C18H23ClN2O6S MolecularWeight: 430.90302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2CCS(=O)(=O)C2)C(=O)COC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)N(C2CCS(=O)(=O)C2)C(=O)COC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H23ClN2O6S/c19-13-6-7-17(16(10-13)21(23)24)27-11-18(22)20(14-4-2-1-3-5-14)15-8-9-28(25,26)12-15/h6-7,10,14-15H,1-5,8-9,11-12H2