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

Systemtic Name: (3-nitrophenyl)methyl 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: (3-nitrophenyl)methyl 4-bromo-3-morpholinosulfonyl-benzoate CAS Name: 4-bromo-3-(4-morpholinylsulfonyl)benzoic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl 4-bromo-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-bromo-3-morpholinosulfonyl-benzoic acid (3-nitrobenzyl) ester Formula: C18H17BrN2O7S MolecularWeight: 485.30578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CC(=CC=C3)[N+](=O)[O-])Br

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CC(=CC=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C18H17BrN2O7S/c19-16-5-4-14(11-17(16)29(25,26)20-6-8-27-9-7-20)18(22)28-12-13-2-1-3-15(10-13)21(23)24/h1-5,10-11H,6-9,12H2