4-[[(5-nitro-2-piperidin-1-yl-phenyl)carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[(5-nitro-2-piperidin-1-yl-phenyl)carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[5-nitro-2-(1-piperidyl)benzoyl]amino]methyl]benzoic acid CAS Name: 4-[[[[5-nitro-2-(1-piperidinyl)phenyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(5-nitro-2-piperidin-1-ylbenzoyl)amino]methyl]benzoic acid Traditional Name: 4-[[(5-nitro-2-piperidino-benzoyl)amino]methyl]benzoic acid Formula: C20H21N3O5 MolecularWeight: 383.39784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H21N3O5/c24-19(21-13-14-4-6-15(7-5-14)20(25)26)17-12-16(23(27)28)8-9-18(17)22-10-2-1-3-11-22/h4-9,12H,1-3,10-11,13H2,(H,21,24)(H,25,26)