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

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 5-nitrothiophene-2-carboxylate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C16H15NO5S MolecularWeight: 333.359

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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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO5S/c1-9-6-11(3)12(7-10(9)2)13(18)8-22-16(19)14-4-5-15(23-14)17(20)21/h4-7H,8H2,1-3H3