[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-oxidanylidenechromene-3-carboxylate

Systemtic Name: [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-oxidanylidenechromene-3-carboxylate Openeye Name: [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-oxochromene-3-carboxylate CAS Name: 2-oxo-1-benzopyran-3-carboxylic acid [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-oxochromene-3-carboxylate Traditional Name: 2-ketochromene-3-carboxylic acid [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C21H16N2O5 MolecularWeight: 376.36214

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C21H16N2O5/c1-2-13-7-9-14(10-8-13)19-22-18(28-23-19)12-26-20(24)16-11-15-5-3-4-6-17(15)27-21(16)25/h3-11H,2,12H2,1H3