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

Systemtic Name: (2-nitrophenyl)methyl 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: (2-nitrophenyl)methyl 4-bromo-3-morpholinosulfonyl-benzoate CAS Name: 4-bromo-3-(4-morpholinylsulfonyl)benzoic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 4-bromo-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-bromo-3-morpholinosulfonyl-benzoic acid (2-nitrobenzyl) ester Formula: C18H17BrN2O7S MolecularWeight: 485.30578

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