3-nitro-4-(4-nitroimidazol-1-yl)benzoate

Systemtic Name: 3-nitro-4-(4-nitroimidazol-1-yl)benzoate Openeye Name: 3-nitro-4-(4-nitroimidazol-1-yl)benzoate CAS Name: 3-nitro-4-(4-nitro-1-imidazolyl)benzoate IUPAC Name: 3-nitro-4-(4-nitroimidazol-1-yl)benzoate Traditional Name: 3-nitro-4-(4-nitroimidazol-1-yl)benzoate Formula: C10H5N4O6- MolecularWeight: 277.1699

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)[O-])[N+](=O)[O-])N2C=C(N=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1C(=O)[O-])[N+](=O)[O-])N2C=C(N=C2)[N+](=O)[O-]

InChI

InChI=1S/C10H6N4O6/c15-10(16)6-1-2-7(8(3-6)13(17)18)12-4-9(11-5-12)14(19)20/h1-5H,(H,15,16)/p-1