2,4-dinitrobenzoate; 5-nitroisoquinolin-2-ium

Systemtic Name: 2,4-dinitrobenzoate; 5-nitroisoquinolin-2-ium Openeye Name: 2,4-dinitrobenzoate; 5-nitroisoquinolin-2-ium CAS Name: 2,4-dinitrobenzoate; 5-nitroisoquinolin-2-ium IUPAC Name: 2,4-dinitrobenzoate; 5-nitroisoquinolin-2-ium Traditional Name: 2,4-dinitrobenzoate; 5-nitroisoquinolin-2-ium Formula: C16H10N4O8 MolecularWeight: 386.2726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H6N2O2.C7H4N2O6/c12-11(13)9-3-1-2-7-6-10-5-4-8(7)9;10-7(11)5-2-1-4(8(12)13)3-6(5)9(14)15/h1-6H;1-3H,(H,10,11)