(4-methoxycarbonylphenyl)methyl 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: (4-methoxycarbonylphenyl)methyl 4-methylsulfonyl-3-nitro-benzoate Openeye Name: (4-methoxycarbonylphenyl)methyl 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid (4-methoxycarbonylphenyl)methyl ester IUPAC Name: (4-methoxycarbonylphenyl)methyl 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid (4-carbomethoxybenzyl) ester Formula: C17H15NO8S MolecularWeight: 393.3679

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO8S/c1-25-16(19)12-5-3-11(4-6-12)10-26-17(20)13-7-8-15(27(2,23)24)14(9-13)18(21)22/h3-9H,10H2,1-2H3