(2-nitrophenyl)methyl 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: (2-nitrophenyl)methyl 2-methyl-5-methylsulfonyl-benzoate Openeye Name: (2-nitrophenyl)methyl 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid (2-nitrobenzyl) ester Formula: C16H15NO6S MolecularWeight: 349.3584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C16H15NO6S/c1-11-7-8-13(24(2,21)22)9-14(11)16(18)23-10-12-5-3-4-6-15(12)17(19)20/h3-9H,10H2,1-2H3