methyl 4-imidazol-1-yl-5-methylsulfonyl-2-nitro-benzoate

Systemtic Name: methyl 4-imidazol-1-yl-5-methylsulfonyl-2-nitro-benzoate Openeye Name: methyl 4-imidazol-1-yl-5-methylsulfonyl-2-nitro-benzoate CAS Name: 4-(1-imidazolyl)-5-methylsulfonyl-2-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-imidazol-1-yl-5-methylsulfonyl-2-nitrobenzoate Traditional Name: 4-imidazol-1-yl-5-mesyl-2-nitro-benzoic acid methyl ester Formula: C12H11N3O6S MolecularWeight: 325.29724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N3O6S/c1-21-12(16)8-5-11(22(2,19)20)10(6-9(8)15(17)18)14-4-3-13-7-14/h3-7H,1-2H3