N-(3-bromanyl-4-methyl-phenyl)-7-(4-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine

Systemtic Name: N-(3-bromanyl-4-methyl-phenyl)-7-(4-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine Openeye Name: N-(3-bromo-4-methyl-phenyl)-7-(4-methyl-1-piperidyl)-4-nitro-2,1,3-benzoxadiazol-5-amine CAS Name: N-(3-bromo-4-methylphenyl)-7-(4-methyl-1-piperidinyl)-4-nitro-2,1,3-benzoxadiazol-5-amine IUPAC Name: N-(3-bromo-4-methylphenyl)-7-(4-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine Traditional Name: (3-bromo-4-methyl-phenyl)-[7-(4-methylpiperidino)-4-nitro-benzofurazan-5-yl]amine Formula: C19H20BrN5O3 MolecularWeight: 446.2978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NC4=CC(=C(C=C4)C)Br

Isomeric SMILES

CC1CCN(CC1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NC4=CC(=C(C=C4)C)Br

InChI

InChI=1S/C19H20BrN5O3/c1-11-5-7-24(8-6-11)16-10-15(21-13-4-3-12(2)14(20)9-13)19(25(26)27)18-17(16)22-28-23-18/h3-4,9-11,21H,5-8H2,1-2H3