5-chloranyl-2-(2-cyanoethanoylamino)benzoic acid

Systemtic Name: 5-chloranyl-2-(2-cyanoethanoylamino)benzoic acid Openeye Name: 5-chloro-2-[(2-cyanoacetyl)amino]benzoic acid CAS Name: 5-chloro-2-[(2-cyano-1-oxoethyl)amino]benzoic acid IUPAC Name: 5-chloro-2-[(2-cyanoacetyl)amino]benzoic acid Traditional Name: 5-chloro-2-[(2-cyanoacetyl)amino]benzoic acid Formula: C10H7ClN2O3 MolecularWeight: 238.62718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)C(=O)O)NC(=O)CC#N

Isomeric SMILES

C1=CC(=C(C=C1Cl)C(=O)O)NC(=O)CC#N

InChI

InChI=1S/C10H7ClN2O3/c11-6-1-2-8(7(5-6)10(15)16)13-9(14)3-4-12/h1-2,5H,3H2,(H,13,14)(H,15,16)