2-oxidanyl-4-(3-oxidanylidenebutanoylamino)benzoate

Systemtic Name: 2-oxidanyl-4-(3-oxidanylidenebutanoylamino)benzoate Openeye Name: 2-hydroxy-4-(3-oxobutanoylamino)benzoate CAS Name: 4-(1,3-dioxobutylamino)-2-hydroxybenzoate IUPAC Name: 2-hydroxy-4-(3-oxobutanoylamino)benzoate Traditional Name: 4-(acetoacetylamino)-2-hydroxy-benzoate Formula: C11H10NO5- MolecularWeight: 236.2008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)NC1=CC(=C(C=C1)C(=O)[O-])O

Isomeric SMILES

CC(=O)CC(=O)NC1=CC(=C(C=C1)C(=O)[O-])O

InChI

InChI=1S/C11H11NO5/c1-6(13)4-10(15)12-7-2-3-8(11(16)17)9(14)5-7/h2-3,5,14H,4H2,1H3,(H,12,15)(H,16,17)/p-1