3,5-dinitrobenzoic acid; 1,10-phenanthroline

Systemtic Name: 3,5-dinitrobenzoic acid; 1,10-phenanthroline Openeye Name: 3,5-dinitrobenzoic acid; 1,10-phenanthroline CAS Name: 3,5-dinitrobenzoic acid; 1,10-phenanthroline IUPAC Name: 3,5-dinitrobenzoic acid; 1,10-phenanthroline Traditional Name: 3,5-dinitrobenzoic acid; 1,10-phenanthroline Formula: C19H12N4O6 MolecularWeight: 392.32178

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H8N2.C7H4N2O6/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-8H;1-3H,(H,10,11)