(1-oxidanylidene-1-phenyl-propan-2-yl) 5-nitrofuran-2-carboxylate

Systemtic Name: (1-oxidanylidene-1-phenyl-propan-2-yl) 5-nitrofuran-2-carboxylate Openeye Name: (1-methyl-2-oxo-2-phenyl-ethyl) 5-nitrofuran-2-carboxylate CAS Name: 5-nitro-2-furancarboxylic acid (1-oxo-1-phenylpropan-2-yl) ester IUPAC Name: (1-oxo-1-phenylpropan-2-yl) 5-nitrofuran-2-carboxylate Traditional Name: 5-nitrofuran-2-carboxylic acid (2-keto-1-methyl-2-phenyl-ethyl) ester Formula: C14H11NO6 MolecularWeight: 289.24024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC=C(O2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C14H11NO6/c1-9(13(16)10-5-3-2-4-6-10)20-14(17)11-7-8-12(21-11)15(18)19/h2-9H,1H3