(2-methoxy-5-nitro-phenyl)methyl 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: (2-methoxy-5-nitro-phenyl)methyl 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: (2-methoxy-5-nitro-phenyl)methyl 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid (2-methoxy-5-nitrophenyl)methyl ester IUPAC Name: (2-methoxy-5-nitrophenyl)methyl 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid (2-methoxy-5-nitro-benzyl) ester Formula: C15H20N2O7S MolecularWeight: 372.3935

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])COC(=O)C2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])COC(=O)C2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C15H20N2O7S/c1-23-14-4-3-13(17(19)20)9-12(14)10-24-15(18)11-5-7-16(8-6-11)25(2,21)22/h3-4,9,11H,5-8,10H2,1-2H3