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

Systemtic Name: 2-[2-(2-hydroxyethyl)piperidin-1-yl]-5-nitro-benzoic acid Openeye Name: 2-[2-(2-hydroxyethyl)-1-piperidyl]-5-nitro-benzoic acid CAS Name: 2-[2-(2-hydroxyethyl)-1-piperidinyl]-5-nitrobenzoic acid IUPAC Name: 2-[2-(2-hydroxyethyl)piperidin-1-yl]-5-nitrobenzoic acid Traditional Name: 2-[2-(2-hydroxyethyl)piperidino]-5-nitro-benzoic acid Formula: C14H18N2O5 MolecularWeight: 294.30312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CCO)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CCN(C(C1)CCO)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H18N2O5/c17-8-6-10-3-1-2-7-15(10)13-5-4-11(16(20)21)9-12(13)14(18)19/h4-5,9-10,17H,1-3,6-8H2,(H,18,19)