ethyl (3S)-1-(4-nitro-2,1,3-benzoxadiazol-7-yl)piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-(4-nitro-2,1,3-benzoxadiazol-7-yl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(4-nitro-2,1,3-benzoxadiazol-7-yl)piperidine-3-carboxylate CAS Name: (3S)-1-(4-nitro-2,1,3-benzoxadiazol-7-yl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(4-nitro-2,1,3-benzoxadiazol-7-yl)piperidine-3-carboxylate Traditional Name: (3S)-1-(7-nitrobenzofurazan-4-yl)nipecotic acid ethyl ester Formula: C14H16N4O5 MolecularWeight: 320.30064

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=CC=C(C3=NON=C23)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C2=CC=C(C3=NON=C23)[N+](=O)[O-]

InChI

InChI=1S/C14H16N4O5/c1-2-22-14(19)9-4-3-7-17(8-9)10-5-6-11(18(20)21)13-12(10)15-23-16-13/h5-6,9H,2-4,7-8H2,1H3/t9-/m0/s1