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

Systemtic Name: (5-bromanyl-3-methoxy-2-oxidanyl-phenyl)methylidene-[2-[(4-nitrophenyl)amino]ethyl]azanium Openeye Name: (5-bromo-2-hydroxy-3-methoxy-phenyl)methylene-[2-(4-nitroanilino)ethyl]ammonium CAS Name: (5-bromo-2-hydroxy-3-methoxyphenyl)methylidene-[2-(4-nitroanilino)ethyl]ammonium IUPAC Name: (5-bromo-2-hydroxy-3-methoxyphenyl)methylidene-[2-(4-nitroanilino)ethyl]azanium Traditional Name: (5-bromo-2-hydroxy-3-methoxy-benzylidene)-[2-(4-nitroanilino)ethyl]ammonium Formula: C16H17BrN3O4+ MolecularWeight: 395.22788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)Br)C=[NH+]CCNC2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

COC1=C(C(=CC(=C1)Br)C=[NH+]CCNC2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C16H16BrN3O4/c1-24-15-9-12(17)8-11(16(15)21)10-18-6-7-19-13-2-4-14(5-3-13)20(22)23/h2-5,8-10,19,21H,6-7H2,1H3/p+1