3-(1,3-benzodioxol-5-yl)-5-methyl-1,2-oxazole-4-carboxylate

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-5-methyl-1,2-oxazole-4-carboxylate Openeye Name: 3-(1,3-benzodioxol-5-yl)-5-methyl-isoxazole-4-carboxylate CAS Name: 3-(1,3-benzodioxol-5-yl)-5-methyl-4-isoxazolecarboxylate IUPAC Name: 3-(1,3-benzodioxol-5-yl)-5-methyl-1,2-oxazole-4-carboxylate Traditional Name: 3-(1,3-benzodioxol-5-yl)-5-methyl-isoxazole-4-carboxylate Formula: C12H8NO5- MolecularWeight: 246.19562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC3=C(C=C2)OCO3)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C2=CC3=C(C=C2)OCO3)C(=O)[O-]

InChI

InChI=1S/C12H9NO5/c1-6-10(12(14)15)11(13-18-6)7-2-3-8-9(4-7)17-5-16-8/h2-4H,5H2,1H3,(H,14,15)/p-1