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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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