[3-(6-chloranylpyridin-3-yl)-4-nitro-cyclohexyl] methanesulfonate

Systemtic Name: [3-(6-chloranylpyridin-3-yl)-4-nitro-cyclohexyl] methanesulfonate Openeye Name: [3-(6-chloro-3-pyridyl)-4-nitro-cyclohexyl] methanesulfonate CAS Name: methanesulfonic acid [3-(6-chloro-3-pyridinyl)-4-nitrocyclohexyl] ester IUPAC Name: [3-(6-chloropyridin-3-yl)-4-nitrocyclohexyl] methanesulfonate Traditional Name: methanesulfonic acid [3-(6-chloro-3-pyridyl)-4-nitro-cyclohexyl] ester Formula: C12H15ClN2O5S MolecularWeight: 334.7759

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1CCC(C(C1)C2=CN=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)OC1CCC(C(C1)C2=CN=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H15ClN2O5S/c1-21(18,19)20-9-3-4-11(15(16)17)10(6-9)8-2-5-12(13)14-7-8/h2,5,7,9-11H,3-4,6H2,1H3