(1-methyl-5-nitro-imidazol-2-yl)methyl 4-nitrobenzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1COC(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN1C(=CN=C1COC(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H10N4O6/c1-14-10(13-6-11(14)16(20)21)7-22-12(17)8-2-4-9(5-3-8)15(18)19/h2-6H,7H2,1H3