2-[1-[(3-nitrophenyl)methyl]piperidin-4-yl]ethanoic acid

Systemtic Name: 2-[1-[(3-nitrophenyl)methyl]piperidin-4-yl]ethanoic acid Openeye Name: 2-[1-[(3-nitrophenyl)methyl]-4-piperidyl]acetic acid CAS Name: 2-[1-[(3-nitrophenyl)methyl]-4-piperidinyl]acetic acid IUPAC Name: 2-[1-[(3-nitrophenyl)methyl]piperidin-4-yl]acetic acid Traditional Name: 2-[1-(3-nitrobenzyl)-4-piperidyl]acetic acid Formula: C14H18N2O4 MolecularWeight: 278.30372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC(=O)O)CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC(=O)O)CC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H18N2O4/c17-14(18)9-11-4-6-15(7-5-11)10-12-2-1-3-13(8-12)16(19)20/h1-3,8,11H,4-7,9-10H2,(H,17,18)