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

Systemtic Name: methyl 2-[3-(1,3-benzodioxol-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]benzoate Openeye Name: methyl 2-[3-(1,3-benzodioxol-5-yl)-4,5-dihydroisoxazol-5-yl]benzoate CAS Name: 2-[3-(1,3-benzodioxol-5-yl)-4,5-dihydroisoxazol-5-yl]benzoic acid methyl ester IUPAC Name: methyl 2-[3-(1,3-benzodioxol-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]benzoate Traditional Name: 2-[3-(1,3-benzodioxol-5-yl)-2-isoxazolin-5-yl]benzoic acid methyl ester Formula: C18H15NO5 MolecularWeight: 325.3154

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C2CC(=NO2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C1=CC=CC=C1C2CC(=NO2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H15NO5/c1-21-18(20)13-5-3-2-4-12(13)16-9-14(19-24-16)11-6-7-15-17(8-11)23-10-22-15/h2-8,16H,9-10H2,1H3