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

Systemtic Name: (2-methoxy-5-nitro-phenyl)methyl 4-methyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: (2-methoxy-5-nitro-phenyl)methyl 4-methyl-3-morpholinosulfonyl-benzoate CAS Name: 4-methyl-3-(4-morpholinylsulfonyl)benzoic acid (2-methoxy-5-nitrophenyl)methyl ester IUPAC Name: (2-methoxy-5-nitrophenyl)methyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methyl-3-morpholinosulfonyl-benzoic acid (2-methoxy-5-nitro-benzyl) ester Formula: C20H22N2O8S MolecularWeight: 450.46228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O8S/c1-14-3-4-15(12-19(14)31(26,27)21-7-9-29-10-8-21)20(23)30-13-16-11-17(22(24)25)5-6-18(16)28-2/h3-6,11-12H,7-10,13H2,1-2H3