4-[4-(hydroxymethyl)piperidin-1-yl]-3-nitro-benzoic acid

Systemtic Name: 4-[4-(hydroxymethyl)piperidin-1-yl]-3-nitro-benzoic acid Openeye Name: 4-[4-(hydroxymethyl)-1-piperidyl]-3-nitro-benzoic acid CAS Name: 4-[4-(hydroxymethyl)-1-piperidinyl]-3-nitrobenzoic acid IUPAC Name: 4-[4-(hydroxymethyl)piperidin-1-yl]-3-nitrobenzoic acid Traditional Name: 4-(4-methylolpiperidino)-3-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)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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