ethyl 6-(4,4-dimethyl-2-oxidanylidene-3H-chromen-6-yl)-2-ethynyl-pyridine-3-carboxylate

Systemtic Name: ethyl 6-(4,4-dimethyl-2-oxidanylidene-3H-chromen-6-yl)-2-ethynyl-pyridine-3-carboxylate Openeye Name: ethyl 6-(4,4-dimethyl-2-oxo-chroman-6-yl)-2-ethynyl-pyridine-3-carboxylate CAS Name: 6-(4,4-dimethyl-2-oxo-3,4-dihydro-2H-1-benzopyran-6-yl)-2-ethynyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-(4,4-dimethyl-2-oxo-3H-chromen-6-yl)-2-ethynylpyridine-3-carboxylate Traditional Name: 2-ethynyl-6-(2-keto-4,4-dimethyl-chroman-6-yl)nicotinic acid ethyl ester Formula: C21H19NO4 MolecularWeight: 349.37986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C=C1)C2=CC3=C(C=C2)OC(=O)CC3(C)C)C#C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C=C1)C2=CC3=C(C=C2)OC(=O)CC3(C)C)C#C

InChI

InChI=1S/C21H19NO4/c1-5-16-14(20(24)25-6-2)8-9-17(22-16)13-7-10-18-15(11-13)21(3,4)12-19(23)26-18/h1,7-11H,6,12H2,2-4H3