3-(2-acetamidopropanoylamino)-4-chloranyl-benzoic acid

Systemtic Name: 3-(2-acetamidopropanoylamino)-4-chloranyl-benzoic acid Openeye Name: 3-(2-acetamidopropanoylamino)-4-chloro-benzoic acid CAS Name: 3-[(2-acetamido-1-oxopropyl)amino]-4-chlorobenzoic acid IUPAC Name: 3-(2-acetamidopropanoylamino)-4-chlorobenzoic acid Traditional Name: 3-(2-acetamidopropanoylamino)-4-chloro-benzoic acid Formula: C12H13ClN2O4 MolecularWeight: 284.69562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClN2O4/c1-6(14-7(2)16)11(17)15-10-5-8(12(18)19)3-4-9(10)13/h3-6H,1-2H3,(H,14,16)(H,15,17)(H,18,19)