3-[4-[3-(4-nitrophenoxy)propanoyl]piperazin-1-yl]benzoic acid

Systemtic Name: 3-[4-[3-(4-nitrophenoxy)propanoyl]piperazin-1-yl]benzoic acid Openeye Name: 3-[4-[3-(4-nitrophenoxy)propanoyl]piperazin-1-yl]benzoic acid CAS Name: 3-[4-[3-(4-nitrophenoxy)-1-oxopropyl]-1-piperazinyl]benzoic acid IUPAC Name: 3-[4-[3-(4-nitrophenoxy)propanoyl]piperazin-1-yl]benzoic acid Traditional Name: 3-[4-[3-(4-nitrophenoxy)propanoyl]piperazino]benzoic acid Formula: C20H21N3O6 MolecularWeight: 399.39724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC(=C2)C(=O)O)C(=O)CCOC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C(=O)O)C(=O)CCOC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O6/c24-19(8-13-29-18-6-4-16(5-7-18)23(27)28)22-11-9-21(10-12-22)17-3-1-2-15(14-17)20(25)26/h1-7,14H,8-13H2,(H,25,26)