benzamide; 3-oxidanylidenebutanoate

Systemtic Name: benzamide; 3-oxidanylidenebutanoate Openeye Name: benzamide; 3-oxobutanoate CAS Name: benzamide; 3-oxobutanoate IUPAC Name: benzamide; 3-oxobutanoate Traditional Name: acetoacetate; benzamide Formula: C11H12NO4- MolecularWeight: 222.21728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)[O-].C1=CC=C(C=C1)C(=O)N

Isomeric SMILES

CC(=O)CC(=O)[O-].C1=CC=C(C=C1)C(=O)N

InChI

InChI=1S/C7H7NO.C4H6O3/c8-7(9)6-4-2-1-3-5-6;1-3(5)2-4(6)7/h1-5H,(H2,8,9);2H2,1H3,(H,6,7)/p-1