(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 5-azanyl-3-methyl-1,2-oxazole-4-carboxylate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 5-azanyl-3-methyl-1,2-oxazole-4-carboxylate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 5-amino-3-methyl-isoxazole-4-carboxylate CAS Name: 5-amino-3-methyl-4-isoxazolecarboxylic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate Traditional Name: 5-amino-3-methyl-isoxazole-4-carboxylic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C14H13ClN2O5 MolecularWeight: 324.71642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1C(=O)OCC2=C3C(=CC(=C2)Cl)COCO3)N

Isomeric SMILES

CC1=NOC(=C1C(=O)OCC2=C3C(=CC(=C2)Cl)COCO3)N

InChI

InChI=1S/C14H13ClN2O5/c1-7-11(13(16)22-17-7)14(18)20-5-9-3-10(15)2-8-4-19-6-21-12(8)9/h2-3H,4-6,16H2,1H3