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

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 5-methyl-3-phenyl-isoxazole-4-carboxylate CAS Name: 5-methyl-3-phenyl-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-methyl-3-phenyl-1,2-oxazole-4-carboxylate Traditional Name: 5-methyl-3-phenyl-isoxazole-4-carboxylic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H16ClNO5 MolecularWeight: 385.79774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)OCC3=C4C(=CC(=C3)Cl)COCO4

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)OCC3=C4C(=CC(=C3)Cl)COCO4

InChI

InChI=1S/C20H16ClNO5/c1-12-17(18(22-27-12)13-5-3-2-4-6-13)20(23)25-10-15-8-16(21)7-14-9-24-11-26-19(14)15/h2-8H,9-11H2,1H3