2,6-bis(bromanyl)-4-nitro-phenolate; 5-nitroisoquinolin-2-ium

Systemtic Name: 2,6-bis(bromanyl)-4-nitro-phenolate; 5-nitroisoquinolin-2-ium Openeye Name: 2,6-dibromo-4-nitro-phenolate; 5-nitroisoquinolin-2-ium CAS Name: 2,6-dibromo-4-nitrophenolate; 5-nitroisoquinolin-2-ium IUPAC Name: 2,6-dibromo-4-nitrophenolate; 5-nitroisoquinolin-2-ium Traditional Name: 2,6-dibromo-4-nitro-phenolate; 5-nitroisoquinolin-2-ium Formula: C15H9Br2N3O5 MolecularWeight: 471.05706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C[NH+]=C2)C(=C1)[N+](=O)[O-].C1=C(C=C(C(=C1Br)[O-])Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C[NH+]=C2)C(=C1)[N+](=O)[O-].C1=C(C=C(C(=C1Br)[O-])Br)[N+](=O)[O-]

InChI

InChI=1S/C9H6N2O2.C6H3Br2NO3/c12-11(13)9-3-1-2-7-6-10-5-4-8(7)9;7-4-1-3(9(11)12)2-5(8)6(4)10/h1-6H;1-2,10H