4-nitro-N5-(phenylmethyl)-N7-quinolin-6-yl-2,1,3-benzoxadiazole-5,7-diamine

Systemtic Name: 4-nitro-N5-(phenylmethyl)-N7-quinolin-6-yl-2,1,3-benzoxadiazole-5,7-diamine Openeye Name: N5-benzyl-4-nitro-N7-(6-quinolyl)-2,1,3-benzoxadiazole-5,7-diamine CAS Name: 4-nitro-N5-(phenylmethyl)-N7-(6-quinolinyl)-2,1,3-benzoxadiazole-5,7-diamine IUPAC Name: 5-N-benzyl-4-nitro-7-N-quinolin-6-yl-2,1,3-benzoxadiazole-5,7-diamine Traditional Name: benzyl-[4-nitro-7-(6-quinolylamino)benzofurazan-5-yl]amine Formula: C22H16N6O3 MolecularWeight: 412.40084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C3=NON=C3C(=C2)NC4=CC5=C(C=C4)N=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C3=NON=C3C(=C2)NC4=CC5=C(C=C4)N=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H16N6O3/c29-28(30)22-19(24-13-14-5-2-1-3-6-14)12-18(20-21(22)27-31-26-20)25-16-8-9-17-15(11-16)7-4-10-23-17/h1-12,24-25H,13H2