(6-chloranylimidazo[1,2-a]pyridin-2-yl)methyl 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: (6-chloranylimidazo[1,2-a]pyridin-2-yl)methyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid (6-chloro-2-imidazo[1,2-a]pyridinyl)methyl ester IUPAC Name: (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl ester Formula: C18H13ClN4O3 MolecularWeight: 368.77382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC2=CN3C=C(C=CC3=N2)Cl)NC(=O)CC#N

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC2=CN3C=C(C=CC3=N2)Cl)NC(=O)CC#N

InChI

InChI=1S/C18H13ClN4O3/c19-13-3-6-16-21-15(10-23(16)9-13)11-26-18(25)12-1-4-14(5-2-12)22-17(24)7-8-20/h1-6,9-10H,7,11H2,(H,22,24)