methyl 2-[3-(hydroxymethyl)piperidin-1-yl]-5-nitro-benzoate

Systemtic Name: methyl 2-[3-(hydroxymethyl)piperidin-1-yl]-5-nitro-benzoate Openeye Name: methyl 2-[3-(hydroxymethyl)-1-piperidyl]-5-nitro-benzoate CAS Name: 2-[3-(hydroxymethyl)-1-piperidinyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[3-(hydroxymethyl)piperidin-1-yl]-5-nitrobenzoate Traditional Name: 2-(3-methylolpiperidino)-5-nitro-benzoic acid methyl ester Formula: C14H18N2O5 MolecularWeight: 294.30312

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCCC(C2)CO

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCCC(C2)CO

InChI

InChI=1S/C14H18N2O5/c1-21-14(18)12-7-11(16(19)20)4-5-13(12)15-6-2-3-10(8-15)9-17/h4-5,7,10,17H,2-3,6,8-9H2,1H3