methyl 4-(2,4-dimethylimidazol-1-yl)-5-methylsulfonyl-2-nitro-benzoate

Systemtic Name: methyl 4-(2,4-dimethylimidazol-1-yl)-5-methylsulfonyl-2-nitro-benzoate Openeye Name: methyl 4-(2,4-dimethylimidazol-1-yl)-5-methylsulfonyl-2-nitro-benzoate CAS Name: 4-(2,4-dimethyl-1-imidazolyl)-5-methylsulfonyl-2-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-(2,4-dimethylimidazol-1-yl)-5-methylsulfonyl-2-nitrobenzoate Traditional Name: 4-(2,4-dimethylimidazol-1-yl)-5-mesyl-2-nitro-benzoic acid methyl ester Formula: C14H15N3O6S MolecularWeight: 353.3504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O6S/c1-8-7-16(9(2)15-8)12-6-11(17(19)20)10(14(18)23-3)5-13(12)24(4,21)22/h5-7H,1-4H3