tert-butyl 4-nitro-3-(2-nitroimidazol-1-yl)benzoate

Systemtic Name: tert-butyl 4-nitro-3-(2-nitroimidazol-1-yl)benzoate Openeye Name: tert-butyl 4-nitro-3-(2-nitroimidazol-1-yl)benzoate CAS Name: 4-nitro-3-(2-nitro-1-imidazolyl)benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-nitro-3-(2-nitroimidazol-1-yl)benzoate Traditional Name: 4-nitro-3-(2-nitroimidazol-1-yl)benzoic acid tert-butyl ester Formula: C14H14N4O6 MolecularWeight: 334.28416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N4O6/c1-14(2,3)24-12(19)9-4-5-10(17(20)21)11(8-9)16-7-6-15-13(16)18(22)23/h4-8H,1-3H3