2-[4-(hydroxymethyl)piperidin-1-yl]-5-nitro-benzoic acid

Systemtic Name: 2-[4-(hydroxymethyl)piperidin-1-yl]-5-nitro-benzoic acid Openeye Name: 2-[4-(hydroxymethyl)-1-piperidyl]-5-nitro-benzoic acid CAS Name: 2-[4-(hydroxymethyl)-1-piperidinyl]-5-nitrobenzoic acid IUPAC Name: 2-[4-(hydroxymethyl)piperidin-1-yl]-5-nitrobenzoic acid Traditional Name: 2-(4-methylolpiperidino)-5-nitro-benzoic acid Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CO)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CN(CCC1CO)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H16N2O5/c16-8-9-3-5-14(6-4-9)12-2-1-10(15(19)20)7-11(12)13(17)18/h1-2,7,9,16H,3-6,8H2,(H,17,18)