3,5-di(imidazol-1-yl)-2-nitro-aniline dihydrochloride

Systemtic Name: 3,5-di(imidazol-1-yl)-2-nitro-aniline dihydrochloride Openeye Name: 3,5-di(imidazol-1-yl)-2-nitro-aniline dihydrochloride CAS Name: 3,5-bis(1-imidazolyl)-2-nitroaniline dihydrochloride IUPAC Name: 3,5-di(imidazol-1-yl)-2-nitroaniline dihydrochloride Traditional Name: [3,5-di(imidazol-1-yl)-2-nitro-phenyl]amine dihydrochloride Formula: C12H12Cl2N6O2 MolecularWeight: 343.16868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)C2=CC(=C(C(=C2)N)[N+](=O)[O-])N3C=CN=C3.Cl.Cl

Isomeric SMILES

C1=CN(C=N1)C2=CC(=C(C(=C2)N)[N+](=O)[O-])N3C=CN=C3.Cl.Cl

InChI

InChI=1S/C12H10N6O2.2ClH/c13-10-5-9(16-3-1-14-7-16)6-11(12(10)18(19)20)17-4-2-15-8-17;;/h1-8H,13H2;2*1H