1-(4-nitro-2,1,3-benzoxadiazol-7-yl)piperidine-3-carboxylic acid

Systemtic Name: 1-(4-nitro-2,1,3-benzoxadiazol-7-yl)piperidine-3-carboxylic acid Openeye Name: 1-(4-nitro-2,1,3-benzoxadiazol-7-yl)piperidine-3-carboxylic acid CAS Name: 1-(4-nitro-2,1,3-benzoxadiazol-7-yl)-3-piperidinecarboxylic acid IUPAC Name: 1-(4-nitro-2,1,3-benzoxadiazol-7-yl)piperidine-3-carboxylic acid Traditional Name: 1-(7-nitrobenzofurazan-4-yl)nipecotic acid Formula: C12H12N4O5 MolecularWeight: 292.24748

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=CC=C(C3=NON=C23)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CC(CN(C1)C2=CC=C(C3=NON=C23)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H12N4O5/c17-12(18)7-2-1-5-15(6-7)8-3-4-9(16(19)20)11-10(8)13-21-14-11/h3-4,7H,1-2,5-6H2,(H,17,18)