4-nitro-5-[4-(phenylmethyl)piperidin-1-yl]-2,1,3-benzoxadiazole

Systemtic Name: 4-nitro-5-[4-(phenylmethyl)piperidin-1-yl]-2,1,3-benzoxadiazole Openeye Name: 5-(4-benzyl-1-piperidyl)-4-nitro-2,1,3-benzoxadiazole CAS Name: 4-nitro-5-[4-(phenylmethyl)-1-piperidinyl]-2,1,3-benzoxadiazole IUPAC Name: 5-(4-benzylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazole Traditional Name: 5-(4-benzylpiperidino)-4-nitro-benzofurazan Formula: C18H18N4O3 MolecularWeight: 338.36052

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C4=NON=C4C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C4=NON=C4C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O3/c23-22(24)18-16(7-6-15-17(18)20-25-19-15)21-10-8-14(9-11-21)12-13-4-2-1-3-5-13/h1-7,14H,8-12H2