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

Systemtic Name: methyl 3-[2-[3-[(2-oxidanylidenechromen-3-yl)carbonylamino]phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[(2-oxochromene-3-carbonyl)amino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[oxo-(2-oxo-1-benzopyran-3-yl)methyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[(2-oxochromene-3-carbonyl)amino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[(2-ketochromene-3-carbonyl)amino]phenyl]ethynyl]benzoic acid methyl ester Formula: C26H17NO5 MolecularWeight: 423.41688

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C26H17NO5/c1-31-25(29)20-9-4-6-17(14-20)12-13-18-7-5-10-21(15-18)27-24(28)22-16-19-8-2-3-11-23(19)32-26(22)30/h2-11,14-16H,1H3,(H,27,28)