ethyl 1-[5-(4-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-7-yl]piperidine-2-carboxylate

Systemtic Name: ethyl 1-[5-(4-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-7-yl]piperidine-2-carboxylate Openeye Name: ethyl 1-[5-(4-methyl-1-piperidyl)-4-nitro-2,1,3-benzoxadiazol-7-yl]piperidine-2-carboxylate CAS Name: 1-[5-(4-methyl-1-piperidinyl)-4-nitro-2,1,3-benzoxadiazol-7-yl]-2-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-(4-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-7-yl]piperidine-2-carboxylate Traditional Name: 1-[6-(4-methylpiperidino)-7-nitro-benzofurazan-4-yl]pipecolinic acid ethyl ester Formula: C20H27N5O5 MolecularWeight: 417.45888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCCN1C2=CC(=C(C3=NON=C23)[N+](=O)[O-])N4CCC(CC4)C

Isomeric SMILES

CCOC(=O)C1CCCCN1C2=CC(=C(C3=NON=C23)[N+](=O)[O-])N4CCC(CC4)C

InChI

InChI=1S/C20H27N5O5/c1-3-29-20(26)14-6-4-5-9-24(14)15-12-16(23-10-7-13(2)8-11-23)19(25(27)28)18-17(15)21-30-22-18/h12-14H,3-11H2,1-2H3