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

Systemtic Name: 4-nitro-N7,N7-bis(phenylmethyl)-N5-pyridin-2-yl-2,1,3-benzoxadiazole-5,7-diamine Openeye Name: N7,N7-dibenzyl-4-nitro-N5-(2-pyridyl)-2,1,3-benzoxadiazole-5,7-diamine CAS Name: 4-nitro-N7,N7-bis(phenylmethyl)-N5-(2-pyridinyl)-2,1,3-benzoxadiazole-5,7-diamine IUPAC Name: 7-N,7-N-dibenzyl-4-nitro-5-N-pyridin-2-yl-2,1,3-benzoxadiazole-5,7-diamine Traditional Name: dibenzyl-[7-nitro-6-(2-pyridylamino)benzofurazan-4-yl]amine Formula: C25H20N6O3 MolecularWeight: 452.4647

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])NC5=CC=CC=N5

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])NC5=CC=CC=N5

InChI

InChI=1S/C25H20N6O3/c32-31(33)25-20(27-22-13-7-8-14-26-22)15-21(23-24(25)29-34-28-23)30(16-18-9-3-1-4-10-18)17-19-11-5-2-6-12-19/h1-15H,16-17H2,(H,26,27)