[1,1-bis(oxidanylidene)-4-piperidin-1-yl-thiolan-3-yl] 4-chloranyl-3-nitro-benzoate

Systemtic Name: [1,1-bis(oxidanylidene)-4-piperidin-1-yl-thiolan-3-yl] 4-chloranyl-3-nitro-benzoate Openeye Name: [1,1-dioxo-4-(1-piperidyl)thiolan-3-yl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [1,1-dioxo-4-(1-piperidinyl)-3-thiolanyl] ester IUPAC Name: (1,1-dioxo-4-piperidin-1-ylthiolan-3-yl) 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid (1,1-diketo-4-piperidino-thiolan-3-yl) ester Formula: C16H19ClN2O6S MolecularWeight: 402.84986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2CS(=O)(=O)CC2OC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2CS(=O)(=O)CC2OC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H19ClN2O6S/c17-12-5-4-11(8-13(12)19(21)22)16(20)25-15-10-26(23,24)9-14(15)18-6-2-1-3-7-18/h4-5,8,14-15H,1-3,6-7,9-10H2