methyl 5-nitro-2-(4-oxidanylpiperidin-1-yl)benzoate

Systemtic Name: methyl 5-nitro-2-(4-oxidanylpiperidin-1-yl)benzoate Openeye Name: methyl 2-(4-hydroxy-1-piperidyl)-5-nitro-benzoate CAS Name: 2-(4-hydroxy-1-piperidinyl)-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-(4-hydroxypiperidin-1-yl)-5-nitrobenzoate Traditional Name: 2-(4-hydroxypiperidino)-5-nitro-benzoic acid methyl ester Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCC(CC2)O

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCC(CC2)O

InChI

InChI=1S/C13H16N2O5/c1-20-13(17)11-8-9(15(18)19)2-3-12(11)14-6-4-10(16)5-7-14/h2-3,8,10,16H,4-7H2,1H3