5-[4-(4-nitrophenyl)carbonylpiperazin-1-yl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[4-(4-nitrophenyl)carbonylpiperazin-1-yl]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[4-(4-nitrobenzoyl)piperazin-1-yl]benzoic acid CAS Name: 2-hydroxy-5-[4-[(4-nitrophenyl)-oxomethyl]-1-piperazinyl]benzoic acid IUPAC Name: 2-hydroxy-5-[4-(4-nitrobenzoyl)piperazin-1-yl]benzoic acid Traditional Name: 2-hydroxy-5-[4-(4-nitrobenzoyl)piperazino]benzoic acid Formula: C18H17N3O6 MolecularWeight: 371.34408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O6/c22-16-6-5-14(11-15(16)18(24)25)19-7-9-20(10-8-19)17(23)12-1-3-13(4-2-12)21(26)27/h1-6,11,22H,7-10H2,(H,24,25)