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

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl 5-azanyl-3-methyl-1,2-oxazole-4-carboxylate Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 5-amino-3-methyl-isoxazole-4-carboxylate CAS Name: 5-amino-3-methyl-4-isoxazolecarboxylic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate Traditional Name: 5-amino-3-methyl-isoxazole-4-carboxylic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester Formula: C13H11BrN2O5 MolecularWeight: 355.14084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1C(=O)OCC2=CC3=C(C=C2Br)OCO3)N

Isomeric SMILES

CC1=NOC(=C1C(=O)OCC2=CC3=C(C=C2Br)OCO3)N

InChI

InChI=1S/C13H11BrN2O5/c1-6-11(12(15)21-16-6)13(17)18-4-7-2-9-10(3-8(7)14)20-5-19-9/h2-3H,4-5,15H2,1H3