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

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 5-azanyl-3-methyl-1,2-oxazole-4-carboxylate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 5-amino-3-methyl-isoxazole-4-carboxylate CAS Name: 5-amino-3-methyl-4-isoxazolecarboxylic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-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 (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C13H11ClN2O5 MolecularWeight: 310.68984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1C(=O)OCC2=CC3=C(C(=C2)Cl)OCO3)N

Isomeric SMILES

CC1=NOC(=C1C(=O)OCC2=CC3=C(C(=C2)Cl)OCO3)N

InChI

InChI=1S/C13H11ClN2O5/c1-6-10(12(15)21-16-6)13(17)18-4-7-2-8(14)11-9(3-7)19-5-20-11/h2-3H,4-5,15H2,1H3