2-[bis(azanyl)methylidenehydrazinylidene]-N-(3,5-dinitrophenyl)ethanamide; sulfuric acid

Systemtic Name: 2-[bis(azanyl)methylidenehydrazinylidene]-N-(3,5-dinitrophenyl)ethanamide; sulfuric acid Openeye Name: 2-(diaminomethylenehydrazono)-N-(3,5-dinitrophenyl)acetamide; sulfuric acid CAS Name: 2-(diaminomethylidenehydrazinylidene)-N-(3,5-dinitrophenyl)acetamide; sulfuric acid IUPAC Name: 2-(diaminomethylidenehydrazinylidene)-N-(3,5-dinitrophenyl)acetamide; sulfuric acid Traditional Name: 2-(diaminomethylenehydrazono)-N-(3,5-dinitrophenyl)acetamide; sulfuric acid Formula: C18H20N14O14S MolecularWeight: 688.5018

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NC(=O)C=NN=C(N)N.C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NC(=O)C=NN=C(N)N.OS(=O)(=O)O

Isomeric SMILES

C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NC(=O)C=NN=C(N)N.C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NC(=O)C=NN=C(N)N.OS(=O)(=O)O

InChI

InChI=1S/2C9H9N7O5.H2O4S/c2*10-9(11)14-12-4-8(17)13-5-1-6(15(18)19)3-7(2-5)16(20)21;1-5(2,3)4/h2*1-4H,(H,13,17)(H4,10,11,14);(H2,1,2,3,4)