3-[[2-(2-methylpropanoyl)phenyl]amino]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[[2-(2-methylpropanoyl)phenyl]amino]-3-oxidanylidene-propanoic acid Openeye Name: 3-[2-(2-methylpropanoyl)anilino]-3-oxo-propanoic acid CAS Name: 3-[2-(2-methyl-1-oxopropyl)anilino]-3-oxopropanoic acid IUPAC Name: 3-[2-(2-methylpropanoyl)anilino]-3-oxopropanoic acid Traditional Name: 3-(2-isobutyrylanilino)-3-keto-propionic acid Formula: C13H15NO4 MolecularWeight: 249.2625

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C1=CC=CC=C1NC(=O)CC(=O)O

Isomeric SMILES

CC(C)C(=O)C1=CC=CC=C1NC(=O)CC(=O)O

InChI

InChI=1S/C13H15NO4/c1-8(2)13(18)9-5-3-4-6-10(9)14-11(15)7-12(16)17/h3-6,8H,7H2,1-2H3,(H,14,15)(H,16,17)