N7,N7-diethyl-4-nitro-N5-(4-phenylphenyl)-2,1,3-benzoxadiazole-5,7-diamine

Systemtic Name: N7,N7-diethyl-4-nitro-N5-(4-phenylphenyl)-2,1,3-benzoxadiazole-5,7-diamine Openeye Name: N7,N7-diethyl-4-nitro-N5-(4-phenylphenyl)-2,1,3-benzoxadiazole-5,7-diamine CAS Name: N7,N7-diethyl-4-nitro-N5-(4-phenylphenyl)-2,1,3-benzoxadiazole-5,7-diamine IUPAC Name: 7-N,7-N-diethyl-4-nitro-5-N-(4-phenylphenyl)-2,1,3-benzoxadiazole-5,7-diamine Traditional Name: diethyl-[7-nitro-6-(4-phenylanilino)benzofurazan-4-yl]amine Formula: C22H21N5O3 MolecularWeight: 403.43384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C2=NON=C12)[N+](=O)[O-])NC3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CCN(CC)C1=CC(=C(C2=NON=C12)[N+](=O)[O-])NC3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H21N5O3/c1-3-26(4-2)19-14-18(22(27(28)29)21-20(19)24-30-25-21)23-17-12-10-16(11-13-17)15-8-6-5-7-9-15/h5-14,23H,3-4H2,1-2H3