N7-(1-adamantyl)-4-nitro-N5-(phenylmethyl)-2,1,3-benzoxadiazole-5,7-diamine

Systemtic Name: N7-(1-adamantyl)-4-nitro-N5-(phenylmethyl)-2,1,3-benzoxadiazole-5,7-diamine Openeye Name: N7-(1-adamantyl)-N5-benzyl-4-nitro-2,1,3-benzoxadiazole-5,7-diamine CAS Name: N7-(1-adamantyl)-4-nitro-N5-(phenylmethyl)-2,1,3-benzoxadiazole-5,7-diamine IUPAC Name: 7-N-(1-adamantyl)-5-N-benzyl-4-nitro-2,1,3-benzoxadiazole-5,7-diamine Traditional Name: 1-adamantyl-[6-(benzylamino)-7-nitro-benzofurazan-4-yl]amine Formula: C23H25N5O3 MolecularWeight: 419.4763

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC4=CC(=C(C5=NON=C45)[N+](=O)[O-])NCC6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC4=CC(=C(C5=NON=C45)[N+](=O)[O-])NCC6=CC=CC=C6

InChI

InChI=1S/C23H25N5O3/c29-28(30)22-19(24-13-14-4-2-1-3-5-14)9-18(20-21(22)27-31-26-20)25-23-10-15-6-16(11-23)8-17(7-15)12-23/h1-5,9,15-17,24-25H,6-8,10-13H2