4-[4-[2-(4-nitrophenoxy)ethanoyl]piperazin-1-yl]benzoic acid

Systemtic Name: 4-[4-[2-(4-nitrophenoxy)ethanoyl]piperazin-1-yl]benzoic acid Openeye Name: 4-[4-[2-(4-nitrophenoxy)acetyl]piperazin-1-yl]benzoic acid CAS Name: 4-[4-[2-(4-nitrophenoxy)-1-oxoethyl]-1-piperazinyl]benzoic acid IUPAC Name: 4-[4-[2-(4-nitrophenoxy)acetyl]piperazin-1-yl]benzoic acid Traditional Name: 4-[4-[2-(4-nitrophenoxy)acetyl]piperazino]benzoic acid Formula: C19H19N3O6 MolecularWeight: 385.37066

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)C(=O)O)C(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)C(=O)O)C(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O6/c23-18(13-28-17-7-5-16(6-8-17)22(26)27)21-11-9-20(10-12-21)15-3-1-14(2-4-15)19(24)25/h1-8H,9-13H2,(H,24,25)