N-(4-bromanyl-2-chloranyl-phenyl)-2,4,6-trinitro-aniline

Systemtic Name: N-(4-bromanyl-2-chloranyl-phenyl)-2,4,6-trinitro-aniline Openeye Name: N-(4-bromo-2-chloro-phenyl)-2,4,6-trinitro-aniline CAS Name: N-(4-bromo-2-chlorophenyl)-2,4,6-trinitroaniline IUPAC Name: N-(4-bromo-2-chlorophenyl)-2,4,6-trinitroaniline Traditional Name: (4-bromo-2-chloro-phenyl)-picryl-amine Formula: C12H6BrClN4O6 MolecularWeight: 417.55624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)Cl)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1Br)Cl)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H6BrClN4O6/c13-6-1-2-9(8(14)3-6)15-12-10(17(21)22)4-7(16(19)20)5-11(12)18(23)24/h1-5,15H