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

Systemtic Name: 4-nitro-N7-phenethyl-N5,N7-bis(phenylmethyl)-2,1,3-benzoxadiazole-5,7-diamine Openeye Name: N5,N7-dibenzyl-4-nitro-N7-phenethyl-2,1,3-benzoxadiazole-5,7-diamine CAS Name: 4-nitro-N7-phenethyl-N5,N7-bis(phenylmethyl)-2,1,3-benzoxadiazole-5,7-diamine IUPAC Name: 5-N,7-N-dibenzyl-4-nitro-7-N-phenethyl-2,1,3-benzoxadiazole-5,7-diamine Traditional Name: benzyl-[6-(benzylamino)-7-nitro-benzofurazan-4-yl]-phenethyl-amine Formula: C28H25N5O3 MolecularWeight: 479.5298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(CC2=CC=CC=C2)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])NCC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CCN(CC2=CC=CC=C2)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])NCC5=CC=CC=C5

InChI

InChI=1S/C28H25N5O3/c34-33(35)28-24(29-19-22-12-6-2-7-13-22)18-25(26-27(28)31-36-30-26)32(20-23-14-8-3-9-15-23)17-16-21-10-4-1-5-11-21/h1-15,18,29H,16-17,19-20H2