(3-nitrophenyl)methyl 2-methyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: (3-nitrophenyl)methyl 2-methyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: (3-nitrophenyl)methyl 2-methyl-5-morpholinosulfonyl-benzoate CAS Name: 2-methyl-5-(4-morpholinylsulfonyl)benzoic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-methyl-5-morpholinosulfonyl-benzoic acid (3-nitrobenzyl) ester Formula: C19H20N2O7S MolecularWeight: 420.4363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O7S/c1-14-5-6-17(29(25,26)20-7-9-27-10-8-20)12-18(14)19(22)28-13-15-3-2-4-16(11-15)21(23)24/h2-6,11-12H,7-10,13H2,1H3