[2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl] 5-nitrofuran-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl] 5-nitrofuran-2-carboxylate Openeye Name: [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 5-nitrofuran-2-carboxylate CAS Name: 5-nitro-2-furancarboxylic acid [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 5-nitrofuran-2-carboxylate Traditional Name: 5-nitrofuran-2-carboxylic acid (2-keto-2-mesityl-ethyl) ester Formula: C16H15NO6 MolecularWeight: 317.2934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)COC(=O)C2=CC=C(O2)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)COC(=O)C2=CC=C(O2)[N+](=O)[O-])C

InChI

InChI=1S/C16H15NO6/c1-9-6-10(2)15(11(3)7-9)12(18)8-22-16(19)13-4-5-14(23-13)17(20)21/h4-7H,8H2,1-3H3