2-nitro-5-(4-nitroimidazol-1-yl)benzoic acid

Systemtic Name: 2-nitro-5-(4-nitroimidazol-1-yl)benzoic acid Openeye Name: 2-nitro-5-(4-nitroimidazol-1-yl)benzoic acid CAS Name: 2-nitro-5-(4-nitro-1-imidazolyl)benzoic acid IUPAC Name: 2-nitro-5-(4-nitroimidazol-1-yl)benzoic acid Traditional Name: 2-nitro-5-(4-nitroimidazol-1-yl)benzoic acid Formula: C10H6N4O6 MolecularWeight: 278.17784

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N2C=C(N=C2)[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1N2C=C(N=C2)[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

InChI

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