methyl 4-[(2-chloranyl-4-nitro-phenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxylate

Systemtic Name: methyl 4-[(2-chloranyl-4-nitro-phenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxylate Openeye Name: methyl 4-[(2-chloro-4-nitro-phenoxy)methyl]-5-methyl-isoxazole-3-carboxylate CAS Name: 4-[(2-chloro-4-nitrophenoxy)methyl]-5-methyl-3-isoxazolecarboxylic acid methyl ester IUPAC Name: methyl 4-[(2-chloro-4-nitrophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxylate Traditional Name: 4-[(2-chloro-4-nitro-phenoxy)methyl]-5-methyl-isoxazole-3-carboxylic acid methyl ester Formula: C13H11ClN2O6 MolecularWeight: 326.68924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C(=O)OC)COC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C(=NO1)C(=O)OC)COC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H11ClN2O6/c1-7-9(12(15-22-7)13(17)20-2)6-21-11-4-3-8(16(18)19)5-10(11)14/h3-5H,6H2,1-2H3