methyl 4-imidazol-1-yl-3,5-dinitro-benzoate

Systemtic Name: methyl 4-imidazol-1-yl-3,5-dinitro-benzoate Openeye Name: methyl 4-imidazol-1-yl-3,5-dinitro-benzoate CAS Name: 4-(1-imidazolyl)-3,5-dinitrobenzoic acid methyl ester IUPAC Name: methyl 4-imidazol-1-yl-3,5-dinitrobenzoate Traditional Name: 4-imidazol-1-yl-3,5-dinitro-benzoic acid methyl ester Formula: C11H8N4O6 MolecularWeight: 292.20442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H8N4O6/c1-21-11(16)7-4-8(14(17)18)10(9(5-7)15(19)20)13-3-2-12-6-13/h2-6H,1H3