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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3

InChI

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