N2,N2-dimethylpyridin-1-ium-1,2-diamine; 2,4-dinitrophenolate

Systemtic Name: N2,N2-dimethylpyridin-1-ium-1,2-diamine; 2,4-dinitrophenolate Openeye Name: N2,N2-dimethylpyridin-1-ium-1,2-diamine; 2,4-dinitrophenolate CAS Name: N2,N2-dimethylpyridin-1-ium-1,2-diamine; 2,4-dinitrophenolate IUPAC Name: 2-N,2-N-dimethylpyridin-1-ium-1,2-diamine; 2,4-dinitrophenolate Traditional Name: (1-aminopyridin-1-ium-2-yl)-dimethyl-amine; 2,4-dinitrophenolate Formula: C13H15N5O5 MolecularWeight: 321.2887

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC=[N+]1N.C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[O-]

Isomeric SMILES

CN(C)C1=CC=CC=[N+]1N.C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[O-]

InChI

InChI=1S/C7H12N3.C6H4N2O5/c1-9(2)7-5-3-4-6-10(7)8;9-6-2-1-4(7(10)11)3-5(6)8(12)13/h3-6H,8H2,1-2H3;1-3,9H/q+1;/p-1