(6-methyl-2-nitro-pyridin-3-yl) 4-methylbenzenesulfonate

Systemtic Name: (6-methyl-2-nitro-pyridin-3-yl) 4-methylbenzenesulfonate Openeye Name: (6-methyl-2-nitro-3-pyridyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (6-methyl-2-nitro-3-pyridinyl) ester IUPAC Name: (6-methyl-2-nitropyridin-3-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (6-methyl-2-nitro-3-pyridyl) ester Formula: C13H12N2O5S MolecularWeight: 308.30978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(N=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(N=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C13H12N2O5S/c1-9-3-6-11(7-4-9)21(18,19)20-12-8-5-10(2)14-13(12)15(16)17/h3-8H,1-2H3