5-bromanyl-2-[(4-nitrophenyl)amino]cyclohepta-2,4,6-trien-1-one

Systemtic Name: 5-bromanyl-2-[(4-nitrophenyl)amino]cyclohepta-2,4,6-trien-1-one Openeye Name: 5-bromo-2-(4-nitroanilino)cyclohepta-2,4,6-trien-1-one CAS Name: 5-bromo-2-(4-nitroanilino)-1-cyclohepta-2,4,6-trienone IUPAC Name: 5-bromo-2-(4-nitroanilino)cyclohepta-2,4,6-trien-1-one Traditional Name: 5-bromo-2-(4-nitroanilino)cyclohepta-2,4,6-trien-1-one Formula: C13H9BrN2O3 MolecularWeight: 321.12616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=CC=C(C=CC2=O)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC2=CC=C(C=CC2=O)Br)[N+](=O)[O-]

InChI

InChI=1S/C13H9BrN2O3/c14-9-1-7-12(13(17)8-2-9)15-10-3-5-11(6-4-10)16(18)19/h1-8H,(H,15,17)