2,3-bis(2-bromanyl-4-methyl-phenyl)-4,6-dinitro-1-oxidanyl-benzotriazole

Systemtic Name: 2,3-bis(2-bromanyl-4-methyl-phenyl)-4,6-dinitro-1-oxidanyl-benzotriazole Openeye Name: 2,3-bis(2-bromo-4-methyl-phenyl)-1-hydroxy-4,6-dinitro-benzotriazole CAS Name: 2,3-bis(2-bromo-4-methylphenyl)-1-hydroxy-4,6-dinitrobenzotriazole IUPAC Name: 2,3-bis(2-bromo-4-methylphenyl)-1-hydroxy-4,6-dinitrobenzotriazole Traditional Name: 2,3-bis(2-bromo-4-methyl-phenyl)-1-hydroxy-4,6-dinitro-benzotriazole Formula: C20H15Br2N5O5 MolecularWeight: 565.1716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C3=C(C=C(C=C3N(N2C4=C(C=C(C=C4)C)Br)O)[N+](=O)[O-])[N+](=O)[O-])Br

Isomeric SMILES

CC1=CC(=C(C=C1)N2C3=C(C=C(C=C3N(N2C4=C(C=C(C=C4)C)Br)O)[N+](=O)[O-])[N+](=O)[O-])Br

InChI

InChI=1S/C20H15Br2N5O5/c1-11-3-5-16(14(21)7-11)23-20-18(9-13(26(29)30)10-19(20)27(31)32)25(28)24(23)17-6-4-12(2)8-15(17)22/h3-10,28H,1-2H3