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

Systemtic Name: 4-[3-(hydroxymethyl)piperidin-1-yl]-3-nitro-benzoic acid Openeye Name: 4-[3-(hydroxymethyl)-1-piperidyl]-3-nitro-benzoic acid CAS Name: 4-[3-(hydroxymethyl)-1-piperidinyl]-3-nitrobenzoic acid IUPAC Name: 4-[3-(hydroxymethyl)piperidin-1-yl]-3-nitrobenzoic acid Traditional Name: 4-(3-methylolpiperidino)-3-nitro-benzoic acid Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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