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

Systemtic Name: (2-methoxy-5-nitro-phenyl)methyl 4-methylsulfonyl-3-nitro-benzoate Openeye Name: (2-methoxy-5-nitro-phenyl)methyl 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid (2-methoxy-5-nitrophenyl)methyl ester IUPAC Name: (2-methoxy-5-nitrophenyl)methyl 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid (2-methoxy-5-nitro-benzyl) ester Formula: C16H14N2O9S MolecularWeight: 410.35536

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])COC(=O)C2=CC(=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])COC(=O)C2=CC(=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O9S/c1-26-14-5-4-12(17(20)21)7-11(14)9-27-16(19)10-3-6-15(28(2,24)25)13(8-10)18(22)23/h3-8H,9H2,1-2H3