[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl 4-cyanobenzoate

Systemtic Name: [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl 4-cyanobenzoate Openeye Name: [5-(1,3-benzodioxol-5-yl)isoxazol-3-yl]methyl 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [5-(1,3-benzodioxol-5-yl)-3-isoxazolyl]methyl ester IUPAC Name: [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [5-(1,3-benzodioxol-5-yl)isoxazol-3-yl]methyl ester Formula: C19H12N2O5 MolecularWeight: 348.30898

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CC(=NO3)COC(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CC(=NO3)COC(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C19H12N2O5/c20-9-12-1-3-13(4-2-12)19(22)23-10-15-8-17(26-21-15)14-5-6-16-18(7-14)25-11-24-16/h1-8H,10-11H2