(5-bromanyl-2-oxidanyl-phenyl)methylidene-[3-[(4-nitrophenyl)amino]propyl]azanium

Systemtic Name: (5-bromanyl-2-oxidanyl-phenyl)methylidene-[3-[(4-nitrophenyl)amino]propyl]azanium Openeye Name: (5-bromo-2-hydroxy-phenyl)methylene-[3-(4-nitroanilino)propyl]ammonium CAS Name: (5-bromo-2-hydroxyphenyl)methylidene-[3-(4-nitroanilino)propyl]ammonium IUPAC Name: (5-bromo-2-hydroxyphenyl)methylidene-[3-(4-nitroanilino)propyl]azanium Traditional Name: (5-bromo-2-hydroxy-benzylidene)-[3-(4-nitroanilino)propyl]ammonium Formula: C16H17BrN3O3+ MolecularWeight: 379.22848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NCCC[NH+]=CC2=C(C=CC(=C2)Br)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NCCC[NH+]=CC2=C(C=CC(=C2)Br)O)[N+](=O)[O-]

InChI

InChI=1S/C16H16BrN3O3/c17-13-2-7-16(21)12(10-13)11-18-8-1-9-19-14-3-5-15(6-4-14)20(22)23/h2-7,10-11,19,21H,1,8-9H2/p+1