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

Systemtic Name: 3,4-dimethyl-5-[(3-methyl-1,2-oxazol-5-yl)azanidylsulfonyl]benzoate Openeye Name: 3,4-dimethyl-5-(3-methylisoxazol-5-yl)azanidylsulfonyl-benzoate CAS Name: 3,4-dimethyl-5-[(3-methyl-5-isoxazolyl)azanidylsulfonyl]benzoate IUPAC Name: 3,4-dimethyl-5-[(3-methyl-1,2-oxazol-5-yl)azanidylsulfonyl]benzoate Traditional Name: 3,4-dimethyl-5-(3-methylisoxazol-5-yl)azanidylsulfonyl-benzoate Formula: C13H12N2O5S-2 MolecularWeight: 308.30978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)[O-])S(=O)(=O)[N-]C2=CC(=NO2)C)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)[O-])S(=O)(=O)[N-]C2=CC(=NO2)C)C

InChI

InChI=1S/C13H14N2O5S/c1-7-4-10(13(16)17)6-11(9(7)3)21(18,19)15-12-5-8(2)14-20-12/h4-6H,1-3H3,(H2,14,15,16,17)/p-2