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

Systemtic Name: [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2,3-dihydro-1,4-dioxine-5-carboxylate Openeye Name: [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2,3-dihydro-1,4-dioxine-5-carboxylate CAS Name: 2,3-dihydro-1,4-dioxin-5-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 2,3-dihydro-1,4-dioxine-5-carboxylate Traditional Name: 2,3-dihydro-p-dioxin-5-carboxylic acid [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C16H16N2O5 MolecularWeight: 316.30864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=COCCO3

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=COCCO3

InChI

InChI=1S/C16H16N2O5/c1-2-11-3-5-12(6-4-11)15-17-14(23-18-15)10-22-16(19)13-9-20-7-8-21-13/h3-6,9H,2,7-8,10H2,1H3