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

Systemtic Name: [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl 3-cyanobenzoate Openeye Name: [5-(1,3-benzodioxol-5-yl)isoxazol-3-yl]methyl 3-cyanobenzoate CAS Name: 3-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 3-cyanobenzoate Traditional Name: 3-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=CC(=C4)C#N

Isomeric SMILES

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

InChI

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