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

Systemtic Name: (3-methyl-4-nitro-pyridin-2-yl)methyl 4-methylbenzenesulfonate Openeye Name: (3-methyl-4-nitro-2-pyridyl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3-methyl-4-nitro-2-pyridinyl)methyl ester IUPAC Name: (3-methyl-4-nitropyridin-2-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-methyl-4-nitro-2-pyridyl)methyl ester Formula: C14H14N2O5S MolecularWeight: 322.33636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2=NC=CC(=C2C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2=NC=CC(=C2C)[N+](=O)[O-]

InChI

InChI=1S/C14H14N2O5S/c1-10-3-5-12(6-4-10)22(19,20)21-9-13-11(2)14(16(17)18)7-8-15-13/h3-8H,9H2,1-2H3