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

Systemtic Name: [4-(diethylamino)-1,1-bis(oxidanylidene)thiolan-3-yl] 3-nitrobenzoate Openeye Name: [4-(diethylamino)-1,1-dioxo-thiolan-3-yl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-(diethylamino)-1,1-dioxo-3-thiolanyl] ester IUPAC Name: [4-(diethylamino)-1,1-dioxothiolan-3-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-(diethylamino)-1,1-diketo-thiolan-3-yl] ester Formula: C15H20N2O6S MolecularWeight: 356.3941

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1CS(=O)(=O)CC1OC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C1CS(=O)(=O)CC1OC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H20N2O6S/c1-3-16(4-2)13-9-24(21,22)10-14(13)23-15(18)11-6-5-7-12(8-11)17(19)20/h5-8,13-14H,3-4,9-10H2,1-2H3