5-[3-(hydroxymethyl)piperidin-1-yl]-2-nitro-benzoic acid

Systemtic Name: 5-[3-(hydroxymethyl)piperidin-1-yl]-2-nitro-benzoic acid Openeye Name: 5-[3-(hydroxymethyl)-1-piperidyl]-2-nitro-benzoic acid CAS Name: 5-[3-(hydroxymethyl)-1-piperidinyl]-2-nitrobenzoic acid IUPAC Name: 5-[3-(hydroxymethyl)piperidin-1-yl]-2-nitrobenzoic acid Traditional Name: 5-(3-methylolpiperidino)-2-nitro-benzoic acid Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O)CO

Isomeric SMILES

C1CC(CN(C1)C2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O)CO

InChI

InChI=1S/C13H16N2O5/c16-8-9-2-1-5-14(7-9)10-3-4-12(15(19)20)11(6-10)13(17)18/h3-4,6,9,16H,1-2,5,7-8H2,(H,17,18)