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

Systemtic Name: [1,1-bis(oxidanylidene)-4-pyrrolidin-1-yl-thiolan-3-yl] 4-chloranyl-3-nitro-benzoate Openeye Name: (1,1-dioxo-4-pyrrolidin-1-yl-thiolan-3-yl) 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [1,1-dioxo-4-(1-pyrrolidinyl)-3-thiolanyl] ester IUPAC Name: (1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl) 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid (1,1-diketo-4-pyrrolidino-thiolan-3-yl) ester Formula: C15H17ClN2O6S MolecularWeight: 388.82328

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2CS(=O)(=O)CC2OC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2CS(=O)(=O)CC2OC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H17ClN2O6S/c16-11-4-3-10(7-12(11)18(20)21)15(19)24-14-9-25(22,23)8-13(14)17-5-1-2-6-17/h3-4,7,13-14H,1-2,5-6,8-9H2