propan-2-yl 2,6-dimethyl-4-[2-(methylsulfonylmethyl)phenyl]-5-nitro-pyridine-3-carboxylate

Systemtic Name: propan-2-yl 2,6-dimethyl-4-[2-(methylsulfonylmethyl)phenyl]-5-nitro-pyridine-3-carboxylate Openeye Name: isopropyl 2,6-dimethyl-4-[2-(methylsulfonylmethyl)phenyl]-5-nitro-pyridine-3-carboxylate CAS Name: 2,6-dimethyl-4-[2-(methylsulfonylmethyl)phenyl]-5-nitro-3-pyridinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2,6-dimethyl-4-[2-(methylsulfonylmethyl)phenyl]-5-nitropyridine-3-carboxylate Traditional Name: 4-[2-(mesylmethyl)phenyl]-2,6-dimethyl-5-nitro-nicotinic acid isopropyl ester Formula: C19H22N2O6S MolecularWeight: 406.45278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=N1)C)C(=O)OC(C)C)C2=CC=CC=C2CS(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=C(C(=N1)C)C(=O)OC(C)C)C2=CC=CC=C2CS(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C19H22N2O6S/c1-11(2)27-19(22)16-12(3)20-13(4)18(21(23)24)17(16)15-9-7-6-8-14(15)10-28(5,25)26/h6-9,11H,10H2,1-5H3