[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl 3-cyanobenzoate

Systemtic Name: [5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl 3-cyanobenzoate Openeye Name: [5-(2,3-dihydro-1,4-benzodioxin-6-yl)isoxazol-3-yl]methyl 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-isoxazolyl]methyl ester IUPAC Name: [5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [5-(2,3-dihydro-1,4-benzodioxin-6-yl)isoxazol-3-yl]methyl ester Formula: C20H14N2O5 MolecularWeight: 362.33556

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=CC(=NO3)COC(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=CC(=NO3)COC(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C20H14N2O5/c21-11-13-2-1-3-15(8-13)20(23)26-12-16-10-18(27-22-16)14-4-5-17-19(9-14)25-7-6-24-17/h1-5,8-10H,6-7,12H2