(1,3,3-trimethyl-6-oxidanylidene-2H-pyridin-4-yl) 4-methylsulfonyloxy-2-nitro-benzoate

Systemtic Name: (1,3,3-trimethyl-6-oxidanylidene-2H-pyridin-4-yl) 4-methylsulfonyloxy-2-nitro-benzoate Openeye Name: (1,3,3-trimethyl-6-oxo-2H-pyridin-4-yl) 4-methylsulfonyloxy-2-nitro-benzoate CAS Name: 4-methylsulfonyloxy-2-nitrobenzoic acid (1,3,3-trimethyl-6-oxo-2H-pyridin-4-yl) ester IUPAC Name: (1,3,3-trimethyl-6-oxo-2H-pyridin-4-yl) 4-methylsulfonyloxy-2-nitrobenzoate Traditional Name: 4-methylsulfonyloxy-2-nitro-benzoic acid (6-keto-1,3,3-trimethyl-2H-pyridin-4-yl) ester Formula: C16H18N2O8S MolecularWeight: 398.38772

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(C(=O)C=C1OC(=O)C2=C(C=C(C=C2)OS(=O)(=O)C)[N+](=O)[O-])C)C

Isomeric SMILES

CC1(CN(C(=O)C=C1OC(=O)C2=C(C=C(C=C2)OS(=O)(=O)C)[N+](=O)[O-])C)C

InChI

InChI=1S/C16H18N2O8S/c1-16(2)9-17(3)14(19)8-13(16)25-15(20)11-6-5-10(26-27(4,23)24)7-12(11)18(21)22/h5-8H,9H2,1-4H3