[2-oxidanylidene-2-(2,3,4,6-tetramethylphenyl)ethyl] 5-nitrothiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2,3,4,6-tetramethylphenyl)ethyl] 5-nitrothiophene-2-carboxylate Openeye Name: [2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [2-keto-2-(2,3,4,6-tetramethylphenyl)ethyl] ester Formula: C17H17NO5S MolecularWeight: 347.38558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)COC(=O)C2=CC=C(S2)[N+](=O)[O-])C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)COC(=O)C2=CC=C(S2)[N+](=O)[O-])C)C)C

InChI

InChI=1S/C17H17NO5S/c1-9-7-10(2)16(12(4)11(9)3)13(19)8-23-17(20)14-5-6-15(24-14)18(21)22/h5-7H,8H2,1-4H3