5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazole

Systemtic Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazole Openeye Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazole CAS Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-4-nitro-2,1,3-benzoxadiazole IUPAC Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazole Traditional Name: 4-nitro-5-(4-piperonylpiperazino)benzofurazan Formula: C18H17N5O5 MolecularWeight: 383.35808

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C5=NON=C5C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C5=NON=C5C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O5/c24-23(25)18-14(3-2-13-17(18)20-28-19-13)22-7-5-21(6-8-22)10-12-1-4-15-16(9-12)27-11-26-15/h1-4,9H,5-8,10-11H2