6-methoxy-2-[(4-methylphenyl)sulfonylmethyl]-3-nitro-pyridine

Systemtic Name: 6-methoxy-2-[(4-methylphenyl)sulfonylmethyl]-3-nitro-pyridine Openeye Name: 6-methoxy-3-nitro-2-(p-tolylsulfonylmethyl)pyridine CAS Name: 6-methoxy-2-[(4-methylphenyl)sulfonylmethyl]-3-nitropyridine IUPAC Name: 6-methoxy-2-[(4-methylphenyl)sulfonylmethyl]-3-nitropyridine Traditional Name: 6-methoxy-3-nitro-2-(tosylmethyl)pyridine Formula: C14H14N2O5S MolecularWeight: 322.33636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=C(C=CC(=N2)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=C(C=CC(=N2)OC)[N+](=O)[O-]

InChI

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