(1,4-dimethyl-5-nitro-imidazol-2-yl) 4-nitrobenzoate

Systemtic Name: (1,4-dimethyl-5-nitro-imidazol-2-yl) 4-nitrobenzoate Openeye Name: (1,4-dimethyl-5-nitro-imidazol-2-yl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (1,4-dimethyl-5-nitro-2-imidazolyl) ester IUPAC Name: (1,4-dimethyl-5-nitroimidazol-2-yl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (1,4-dimethyl-5-nitro-imidazol-2-yl) ester Formula: C12H10N4O6 MolecularWeight: 306.231

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(N(C(=N1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C12H10N4O6/c1-7-10(16(20)21)14(2)12(13-7)22-11(17)8-3-5-9(6-4-8)15(18)19/h3-6H,1-2H3