5-[4-(3-nitrophenyl)carbonylpiperazin-1-yl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[4-(3-nitrophenyl)carbonylpiperazin-1-yl]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[4-(3-nitrobenzoyl)piperazin-1-yl]benzoic acid CAS Name: 2-hydroxy-5-[4-[(3-nitrophenyl)-oxomethyl]-1-piperazinyl]benzoic acid IUPAC Name: 2-hydroxy-5-[4-(3-nitrobenzoyl)piperazin-1-yl]benzoic acid Traditional Name: 2-hydroxy-5-[4-(3-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(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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