2-(5-nitro-2-piperidin-1-yl-phenyl)ethanoic acid

Systemtic Name: 2-(5-nitro-2-piperidin-1-yl-phenyl)ethanoic acid Openeye Name: 2-[5-nitro-2-(1-piperidyl)phenyl]acetic acid CAS Name: 2-[5-nitro-2-(1-piperidinyl)phenyl]acetic acid IUPAC Name: 2-(5-nitro-2-piperidin-1-ylphenyl)acetic acid Traditional Name: 2-(5-nitro-2-piperidino-phenyl)acetic acid Formula: C13H16N2O4 MolecularWeight: 264.27714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])CC(=O)O

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])CC(=O)O

InChI

InChI=1S/C13H16N2O4/c16-13(17)9-10-8-11(15(18)19)4-5-12(10)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7,9H2,(H,16,17)