butyl 5-methyl-3-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxylate

Systemtic Name: butyl 5-methyl-3-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxylate Openeye Name: butyl 5-methyl-3-(5-nitro-2-furyl)isoxazole-4-carboxylate CAS Name: 5-methyl-3-(5-nitro-2-furanyl)-4-isoxazolecarboxylic acid butyl ester IUPAC Name: butyl 5-methyl-3-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxylate Traditional Name: 5-methyl-3-(5-nitro-2-furyl)isoxazole-4-carboxylic acid butyl ester Formula: C13H14N2O6 MolecularWeight: 294.26006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(ON=C1C2=CC=C(O2)[N+](=O)[O-])C

Isomeric SMILES

CCCCOC(=O)C1=C(ON=C1C2=CC=C(O2)[N+](=O)[O-])C

InChI

InChI=1S/C13H14N2O6/c1-3-4-7-19-13(16)11-8(2)21-14-12(11)9-5-6-10(20-9)15(17)18/h5-6H,3-4,7H2,1-2H3