4-chloranyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]benzoic acid

Systemtic Name: 4-chloranyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]benzoic acid Openeye Name: 4-chloro-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]benzoic acid CAS Name: 4-chloro-3-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]benzoic acid Traditional Name: 4-chloro-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]benzoic acid Formula: C13H12ClN3O4 MolecularWeight: 309.70508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=N1)CCC(=O)NC2=C(C=CC(=C2)C(=O)O)Cl

Isomeric SMILES

CC1=NOC(=N1)CCC(=O)NC2=C(C=CC(=C2)C(=O)O)Cl

InChI

InChI=1S/C13H12ClN3O4/c1-7-15-12(21-17-7)5-4-11(18)16-10-6-8(13(19)20)2-3-9(10)14/h2-3,6H,4-5H2,1H3,(H,16,18)(H,19,20)