methyl 3-[2-[3-[(6-chloranylpyridin-3-yl)carbonylamino]phenyl]ethynyl]benzoate

Systemtic Name: methyl 3-[2-[3-[(6-chloranylpyridin-3-yl)carbonylamino]phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[(6-chloropyridine-3-carbonyl)amino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[(6-chloro-3-pyridinyl)-oxomethyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[(6-chloropyridine-3-carbonyl)amino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[(6-chloronicotinoyl)amino]phenyl]ethynyl]benzoic acid methyl ester Formula: C22H15ClN2O3 MolecularWeight: 390.8191

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)C3=CN=C(C=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)18-10-11-20(23)24-14-18/h2-7,10-14H,1H3,(H,25,26)