[1,1-bis(oxidanylidene)-4-piperidin-1-yl-thiolan-3-yl] 3-nitrobenzoate

Systemtic Name: [1,1-bis(oxidanylidene)-4-piperidin-1-yl-thiolan-3-yl] 3-nitrobenzoate Openeye Name: [1,1-dioxo-4-(1-piperidyl)thiolan-3-yl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [1,1-dioxo-4-(1-piperidinyl)-3-thiolanyl] ester IUPAC Name: (1,1-dioxo-4-piperidin-1-ylthiolan-3-yl) 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (1,1-diketo-4-piperidino-thiolan-3-yl) ester Formula: C16H20N2O6S MolecularWeight: 368.4048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O6S/c19-16(12-5-4-6-13(9-12)18(20)21)24-15-11-25(22,23)10-14(15)17-7-2-1-3-8-17/h4-6,9,14-15H,1-3,7-8,10-11H2