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

Systemtic Name: 4-nitro-N7-(phenylmethyl)-N5-pyridin-2-yl-2,1,3-benzoxadiazole-5,7-diamine Openeye Name: N7-benzyl-4-nitro-N5-(2-pyridyl)-2,1,3-benzoxadiazole-5,7-diamine CAS Name: 4-nitro-N7-(phenylmethyl)-N5-(2-pyridinyl)-2,1,3-benzoxadiazole-5,7-diamine IUPAC Name: 7-N-benzyl-4-nitro-5-N-pyridin-2-yl-2,1,3-benzoxadiazole-5,7-diamine Traditional Name: benzyl-[7-nitro-6-(2-pyridylamino)benzofurazan-4-yl]amine Formula: C18H14N6O3 MolecularWeight: 362.34216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=CC(=C(C3=NON=C23)[N+](=O)[O-])NC4=CC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)CNC2=CC(=C(C3=NON=C23)[N+](=O)[O-])NC4=CC=CC=N4

InChI

InChI=1S/C18H14N6O3/c25-24(26)18-14(21-15-8-4-5-9-19-15)10-13(16-17(18)23-27-22-16)20-11-12-6-2-1-3-7-12/h1-10,20H,11H2,(H,19,21)