1-(4-methoxy-3-nitro-phenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: 1-(4-methoxy-3-nitro-phenyl)sulfonylpiperidine-4-carboxylate Openeye Name: 1-(4-methoxy-3-nitro-phenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-methoxy-3-nitrophenyl)sulfonyl-4-piperidinecarboxylate IUPAC Name: 1-(4-methoxy-3-nitrophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-methoxy-3-nitro-phenyl)sulfonylisonipecotate Formula: C13H15N2O7S- MolecularWeight: 343.3324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O7S/c1-22-12-3-2-10(8-11(12)15(18)19)23(20,21)14-6-4-9(5-7-14)13(16)17/h2-3,8-9H,4-7H2,1H3,(H,16,17)/p-1