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

Systemtic Name: [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-oxidanylidenechromene-2-carboxylate Openeye Name: [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-oxochromene-2-carboxylate CAS Name: 4-oxo-1-benzopyran-2-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 4-oxochromene-2-carboxylate Traditional Name: 4-ketochromene-2-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=CC(=O)C4=CC=CC=C4O3

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC(=O)C4=CC=CC=C4O3

InChI

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