octyl 5-nitrofuran-2-carboxylate

Systemtic Name: octyl 5-nitrofuran-2-carboxylate Openeye Name: octyl 5-nitrofuran-2-carboxylate CAS Name: 5-nitro-2-furancarboxylic acid octyl ester IUPAC Name: octyl 5-nitrofuran-2-carboxylate Traditional Name: 5-nitrofuran-2-carboxylic acid octyl ester Formula: C13H19NO5 MolecularWeight: 269.29366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO5/c1-2-3-4-5-6-7-10-18-13(15)11-8-9-12(19-11)14(16)17/h8-9H,2-7,10H2,1H3