5-acetamido-2-(2-methylpropanoylamino)benzoic acid

Systemtic Name: 5-acetamido-2-(2-methylpropanoylamino)benzoic acid Openeye Name: 5-acetamido-2-(2-methylpropanoylamino)benzoic acid CAS Name: 5-acetamido-2-[(2-methyl-1-oxopropyl)amino]benzoic acid IUPAC Name: 5-acetamido-2-(2-methylpropanoylamino)benzoic acid Traditional Name: 5-acetamido-2-(isobutyrylamino)benzoic acid Formula: C13H16N2O4 MolecularWeight: 264.27714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=C(C=C(C=C1)NC(=O)C)C(=O)O

Isomeric SMILES

CC(C)C(=O)NC1=C(C=C(C=C1)NC(=O)C)C(=O)O

InChI

InChI=1S/C13H16N2O4/c1-7(2)12(17)15-11-5-4-9(14-8(3)16)6-10(11)13(18)19/h4-7H,1-3H3,(H,14,16)(H,15,17)(H,18,19)