methyl 3-[2-[3-[(4-chloranylpyridin-2-yl)carbonylamino]phenyl]ethynyl]benzoate

Systemtic Name: methyl 3-[2-[3-[(4-chloranylpyridin-2-yl)carbonylamino]phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[(4-chloropyridine-2-carbonyl)amino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[(4-chloro-2-pyridinyl)-oxomethyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[(4-chloropyridine-2-carbonyl)amino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[(4-chloropicolinoyl)amino]phenyl]ethynyl]benzoic acid methyl ester Formula: C22H15ClN2O3 MolecularWeight: 390.8191

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)C3=NC=CC(=C3)Cl

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)C3=NC=CC(=C3)Cl

InChI

InChI=1S/C22H15ClN2O3/c1-28-22(27)17-6-2-4-15(12-17)8-9-16-5-3-7-19(13-16)25-21(26)20-14-18(23)10-11-24-20/h2-7,10-14H,1H3,(H,25,26)