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

Systemtic Name: (4-nitrophenyl) 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: (4-nitrophenyl) 4-bromo-3-morpholinosulfonyl-benzoate CAS Name: 4-bromo-3-(4-morpholinylsulfonyl)benzoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 4-bromo-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-bromo-3-morpholinosulfonyl-benzoic acid (4-nitrophenyl) ester Formula: C17H15BrN2O7S MolecularWeight: 471.2792

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C17H15BrN2O7S/c18-15-6-1-12(11-16(15)28(24,25)19-7-9-26-10-8-19)17(21)27-14-4-2-13(3-5-14)20(22)23/h1-6,11H,7-10H2