[4-[2-(benzotriazol-2-yl)-4-methyl-phenoxy]-3-nitro-phenyl]-(4-bromophenyl)methanone

Systemtic Name: [4-[2-(benzotriazol-2-yl)-4-methyl-phenoxy]-3-nitro-phenyl]-(4-bromophenyl)methanone Openeye Name: [4-[2-(benzotriazol-2-yl)-4-methyl-phenoxy]-3-nitro-phenyl]-(4-bromophenyl)methanone CAS Name: [4-[2-(2-benzotriazolyl)-4-methylphenoxy]-3-nitrophenyl]-(4-bromophenyl)methanone IUPAC Name: [4-[2-(benzotriazol-2-yl)-4-methylphenoxy]-3-nitrophenyl]-(4-bromophenyl)methanone Traditional Name: [4-[2-(benzotriazol-2-yl)-4-methyl-phenoxy]-3-nitro-phenyl]-(4-bromophenyl)methanone Formula: C26H17BrN4O4 MolecularWeight: 529.34158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC2=C(C=C(C=C2)C(=O)C3=CC=C(C=C3)Br)[N+](=O)[O-])N4N=C5C=CC=CC5=N4

Isomeric SMILES

CC1=CC(=C(C=C1)OC2=C(C=C(C=C2)C(=O)C3=CC=C(C=C3)Br)[N+](=O)[O-])N4N=C5C=CC=CC5=N4

InChI

InChI=1S/C26H17BrN4O4/c1-16-6-12-24(22(14-16)30-28-20-4-2-3-5-21(20)29-30)35-25-13-9-18(15-23(25)31(33)34)26(32)17-7-10-19(27)11-8-17/h2-15H,1H3