(5-nitropyridin-2-yl)methyl 4-methylbenzenesulfonate

Systemtic Name: (5-nitropyridin-2-yl)methyl 4-methylbenzenesulfonate Openeye Name: (5-nitro-2-pyridyl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (5-nitro-2-pyridinyl)methyl ester IUPAC Name: (5-nitropyridin-2-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5-nitro-2-pyridyl)methyl ester Formula: C13H12N2O5S MolecularWeight: 308.30978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2=NC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2=NC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H12N2O5S/c1-10-2-6-13(7-3-10)21(18,19)20-9-11-4-5-12(8-14-11)15(16)17/h2-8H,9H2,1H3