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

Systemtic Name: N7-(5-bromanylpyridin-2-yl)-4-nitro-N5-(phenylmethyl)-2,1,3-benzoxadiazole-5,7-diamine Openeye Name: N5-benzyl-N7-(5-bromo-2-pyridyl)-4-nitro-2,1,3-benzoxadiazole-5,7-diamine CAS Name: N7-(5-bromo-2-pyridinyl)-4-nitro-N5-(phenylmethyl)-2,1,3-benzoxadiazole-5,7-diamine IUPAC Name: 5-N-benzyl-7-N-(5-bromopyridin-2-yl)-4-nitro-2,1,3-benzoxadiazole-5,7-diamine Traditional Name: benzyl-[7-[(5-bromo-2-pyridyl)amino]-4-nitro-benzofurazan-5-yl]amine Formula: C18H13BrN6O3 MolecularWeight: 441.23822

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C3=NON=C3C(=C2)NC4=NC=C(C=C4)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C3=NON=C3C(=C2)NC4=NC=C(C=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C18H13BrN6O3/c19-12-6-7-15(21-10-12)22-13-8-14(20-9-11-4-2-1-3-5-11)18(25(26)27)17-16(13)23-28-24-17/h1-8,10,20H,9H2,(H,21,22)