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

Systemtic Name: N7-ethyl-4-nitro-N7-(phenylmethyl)-N5-pyridin-2-yl-2,1,3-benzoxadiazole-5,7-diamine Openeye Name: N7-benzyl-N7-ethyl-4-nitro-N5-(2-pyridyl)-2,1,3-benzoxadiazole-5,7-diamine CAS Name: N7-ethyl-4-nitro-N7-(phenylmethyl)-N5-(2-pyridinyl)-2,1,3-benzoxadiazole-5,7-diamine IUPAC Name: 7-N-benzyl-7-N-ethyl-4-nitro-5-N-pyridin-2-yl-2,1,3-benzoxadiazole-5,7-diamine Traditional Name: benzyl-ethyl-[7-nitro-6-(2-pyridylamino)benzofurazan-4-yl]amine Formula: C20H18N6O3 MolecularWeight: 390.39532

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NC4=CC=CC=N4

Isomeric SMILES

CCN(CC1=CC=CC=C1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NC4=CC=CC=N4

InChI

InChI=1S/C20H18N6O3/c1-2-25(13-14-8-4-3-5-9-14)16-12-15(22-17-10-6-7-11-21-17)20(26(27)28)19-18(16)23-29-24-19/h3-12H,2,13H2,1H3,(H,21,22)