3-azanylidene-7-bromanyl-1-oxidanidyl-4-oxidanyl-quinoxalin-1-ium-2-carbonitrile

Systemtic Name: 3-azanylidene-7-bromanyl-1-oxidanidyl-4-oxidanyl-quinoxalin-1-ium-2-carbonitrile Openeye Name: 7-bromo-4-hydroxy-3-imino-1-oxido-quinoxalin-1-ium-2-carbonitrile CAS Name: 7-bromo-4-hydroxy-3-imino-1-oxido-2-quinoxalin-1-iumcarbonitrile IUPAC Name: 7-bromo-4-hydroxy-3-imino-1-oxidoquinoxalin-1-ium-2-carbonitrile Traditional Name: 7-bromo-4-hydroxy-3-imino-1-oxido-quinoxalin-1-ium-2-carbonitrile Formula: C9H5BrN4O2 MolecularWeight: 281.0656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)[N+](=C(C(=N)N2O)C#N)[O-]

Isomeric SMILES

C1=CC2=C(C=C1Br)[N+](=C(C(=N)N2O)C#N)[O-]

InChI

InChI=1S/C9H5BrN4O2/c10-5-1-2-6-7(3-5)13(15)8(4-11)9(12)14(6)16/h1-3,12,16H