5-[4-[2-(4-nitrophenoxy)ethanoyl]piperazin-1-yl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[4-[2-(4-nitrophenoxy)ethanoyl]piperazin-1-yl]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[4-[2-(4-nitrophenoxy)acetyl]piperazin-1-yl]benzoic acid CAS Name: 2-hydroxy-5-[4-[2-(4-nitrophenoxy)-1-oxoethyl]-1-piperazinyl]benzoic acid IUPAC Name: 2-hydroxy-5-[4-[2-(4-nitrophenoxy)acetyl]piperazin-1-yl]benzoic acid Traditional Name: 2-hydroxy-5-[4-[2-(4-nitrophenoxy)acetyl]piperazino]benzoic acid Formula: C19H19N3O7 MolecularWeight: 401.37006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O7/c23-17-6-3-14(11-16(17)19(25)26)20-7-9-21(10-8-20)18(24)12-29-15-4-1-13(2-5-15)22(27)28/h1-6,11,23H,7-10,12H2,(H,25,26)