5-[4-[3-(4-nitrophenoxy)propanoyl]piperazin-1-yl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[4-[3-(4-nitrophenoxy)propanoyl]piperazin-1-yl]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[4-[3-(4-nitrophenoxy)propanoyl]piperazin-1-yl]benzoic acid CAS Name: 2-hydroxy-5-[4-[3-(4-nitrophenoxy)-1-oxopropyl]-1-piperazinyl]benzoic acid IUPAC Name: 2-hydroxy-5-[4-[3-(4-nitrophenoxy)propanoyl]piperazin-1-yl]benzoic acid Traditional Name: 2-hydroxy-5-[4-[3-(4-nitrophenoxy)propanoyl]piperazino]benzoic acid Formula: C20H21N3O7 MolecularWeight: 415.39664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O7/c24-18-6-3-15(13-17(18)20(26)27)21-8-10-22(11-9-21)19(25)7-12-30-16-4-1-14(2-5-16)23(28)29/h1-6,13,24H,7-12H2,(H,26,27)