5-nitro-2-[4-(phenylmethyl)piperidin-1-yl]benzoic acid

Systemtic Name: 5-nitro-2-[4-(phenylmethyl)piperidin-1-yl]benzoic acid Openeye Name: 2-(4-benzyl-1-piperidyl)-5-nitro-benzoic acid CAS Name: 5-nitro-2-[4-(phenylmethyl)-1-piperidinyl]benzoic acid IUPAC Name: 2-(4-benzylpiperidin-1-yl)-5-nitrobenzoic acid Traditional Name: 2-(4-benzylpiperidino)-5-nitro-benzoic acid Formula: C19H20N2O4 MolecularWeight: 340.3731

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C19H20N2O4/c22-19(23)17-13-16(21(24)25)6-7-18(17)20-10-8-15(9-11-20)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12H2,(H,22,23)