methyl 4-chloranyl-2-methyl-5-methylsulfonyl-3-nitro-benzoate

Systemtic Name: methyl 4-chloranyl-2-methyl-5-methylsulfonyl-3-nitro-benzoate Openeye Name: methyl 4-chloro-2-methyl-5-methylsulfonyl-3-nitro-benzoate CAS Name: 4-chloro-2-methyl-5-methylsulfonyl-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-chloro-2-methyl-5-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-chloro-5-mesyl-2-methyl-3-nitro-benzoic acid methyl ester Formula: C10H10ClNO6S MolecularWeight: 307.7075

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1C(=O)OC)S(=O)(=O)C)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=C(C=C1C(=O)OC)S(=O)(=O)C)Cl)[N+](=O)[O-]

InChI

InChI=1S/C10H10ClNO6S/c1-5-6(10(13)18-2)4-7(19(3,16)17)8(11)9(5)12(14)15/h4H,1-3H3