(5-chloranyl-1-methyl-imidazol-2-yl)methyl 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: (5-chloranyl-1-methyl-imidazol-2-yl)methyl 4-methylsulfonyl-3-nitro-benzoate Openeye Name: (5-chloro-1-methyl-imidazol-2-yl)methyl 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid (5-chloro-1-methyl-2-imidazolyl)methyl ester IUPAC Name: (5-chloro-1-methylimidazol-2-yl)methyl 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid (5-chloro-1-methyl-imidazol-2-yl)methyl ester Formula: C13H12ClN3O6S MolecularWeight: 373.76888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12ClN3O6S/c1-16-11(14)6-15-12(16)7-23-13(18)8-3-4-10(24(2,21)22)9(5-8)17(19)20/h3-6H,7H2,1-2H3