(5-ethanoyl-2-ethoxy-phenyl)methyl 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl 4-methylsulfonyl-3-nitro-benzoate Openeye Name: (5-acetyl-2-ethoxy-phenyl)methyl 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid (5-acetyl-2-ethoxy-benzyl) ester Formula: C19H19NO8S MolecularWeight: 421.42106

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2=CC(=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2=CC(=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C19H19NO8S/c1-4-27-17-7-5-13(12(2)21)9-15(17)11-28-19(22)14-6-8-18(29(3,25)26)16(10-14)20(23)24/h5-10H,4,11H2,1-3H3