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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(2-chloranyl-6-fluoranyl-phenyl)-5-methyl-1,2-oxazole-4-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(2-chloro-6-fluoro-phenyl)-5-methyl-isoxazole-4-carboxylate CAS Name: 3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate Traditional Name: 3-(2-chloro-6-fluoro-phenyl)-5-methyl-isoxazole-4-carboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H14ClFN2O7 MolecularWeight: 448.785763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C20H14ClFN2O7/c1-10-16(18(23-31-10)17-14(21)3-2-4-15(17)22)20(25)29-8-12-6-13(24(26)27)5-11-7-28-9-30-19(11)12/h2-6H,7-9H2,1H3