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

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 4-methylsulfonyl-3-nitro-benzoate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C18H17NO8S MolecularWeight: 407.39448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO8S/c1-11(20)12-4-6-16(26-2)14(8-12)10-27-18(21)13-5-7-17(28(3,24)25)15(9-13)19(22)23/h4-9H,10H2,1-3H3