hexyl 5-acetamido-4-nitro-furan-2-carboxylate

Systemtic Name: hexyl 5-acetamido-4-nitro-furan-2-carboxylate Openeye Name: hexyl 5-acetamido-4-nitro-furan-2-carboxylate CAS Name: 5-acetamido-4-nitro-2-furancarboxylic acid hexyl ester IUPAC Name: hexyl 5-acetamido-4-nitrofuran-2-carboxylate Traditional Name: 5-acetamido-4-nitro-furan-2-carboxylic acid hexyl ester Formula: C13H18N2O6 MolecularWeight: 298.29182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC(=C(O1)NC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCCCCCOC(=O)C1=CC(=C(O1)NC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C13H18N2O6/c1-3-4-5-6-7-20-13(17)11-8-10(15(18)19)12(21-11)14-9(2)16/h8H,3-7H2,1-2H3,(H,14,16)