3-bromanyl-4-[(5-methyl-1,2-oxazol-3-yl)azanidylsulfonyl]benzoate

Systemtic Name: 3-bromanyl-4-[(5-methyl-1,2-oxazol-3-yl)azanidylsulfonyl]benzoate Openeye Name: 3-bromo-4-(5-methylisoxazol-3-yl)azanidylsulfonyl-benzoate CAS Name: 3-bromo-4-[(5-methyl-3-isoxazolyl)azanidylsulfonyl]benzoate IUPAC Name: 3-bromo-4-[(5-methyl-1,2-oxazol-3-yl)azanidylsulfonyl]benzoate Traditional Name: 3-bromo-4-(5-methylisoxazol-3-yl)azanidylsulfonyl-benzoate Formula: C11H7BrN2O5S-2 MolecularWeight: 359.15268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)[N-]S(=O)(=O)C2=C(C=C(C=C2)C(=O)[O-])Br

Isomeric SMILES

CC1=CC(=NO1)[N-]S(=O)(=O)C2=C(C=C(C=C2)C(=O)[O-])Br

InChI

InChI=1S/C11H9BrN2O5S/c1-6-4-10(13-19-6)14-20(17,18)9-3-2-7(11(15)16)5-8(9)12/h2-5H,1H3,(H2,13,14,15,16)/p-2