4,5-di(imidazol-1-yl)-2-nitro-aniline dihydrochloride

Systemtic Name: 4,5-di(imidazol-1-yl)-2-nitro-aniline dihydrochloride Openeye Name: 4,5-di(imidazol-1-yl)-2-nitro-aniline dihydrochloride CAS Name: 4,5-bis(1-imidazolyl)-2-nitroaniline dihydrochloride IUPAC Name: 4,5-di(imidazol-1-yl)-2-nitroaniline dihydrochloride Traditional Name: [4,5-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=C2N3C=CN=C3)[N+](=O)[O-])N.Cl.Cl

Isomeric SMILES

C1=CN(C=N1)C2=CC(=C(C=C2N3C=CN=C3)[N+](=O)[O-])N.Cl.Cl

InChI

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