5-azanyl-2-methoxy-benzenesulfonic acid; 3-oxidanylidenebutanamide

Systemtic Name: 5-azanyl-2-methoxy-benzenesulfonic acid; 3-oxidanylidenebutanamide Openeye Name: 5-amino-2-methoxy-benzenesulfonic acid; 3-oxobutanamide CAS Name: 5-amino-2-methoxybenzenesulfonic acid; 3-oxobutanamide IUPAC Name: 5-amino-2-methoxybenzenesulfonic acid; 3-oxobutanamide Traditional Name: acetoacetamide; 5-amino-2-methoxy-besylic acid Formula: C11H16N2O6S MolecularWeight: 304.31954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)N.COC1=C(C=C(C=C1)N)S(=O)(=O)O

Isomeric SMILES

CC(=O)CC(=O)N.COC1=C(C=C(C=C1)N)S(=O)(=O)O

InChI

InChI=1S/C7H9NO4S.C4H7NO2/c1-12-6-3-2-5(8)4-7(6)13(9,10)11;1-3(6)2-4(5)7/h2-4H,8H2,1H3,(H,9,10,11);2H2,1H3,(H2,5,7)