1-(2,5-dimethylthiophen-3-yl)-2-(4-nitrophenoxy)ethanone

Systemtic Name: 1-(2,5-dimethylthiophen-3-yl)-2-(4-nitrophenoxy)ethanone Openeye Name: 1-(2,5-dimethyl-3-thienyl)-2-(4-nitrophenoxy)ethanone CAS Name: 1-(2,5-dimethyl-3-thiophenyl)-2-(4-nitrophenoxy)ethanone IUPAC Name: 1-(2,5-dimethylthiophen-3-yl)-2-(4-nitrophenoxy)ethanone Traditional Name: 1-(2,5-dimethyl-3-thienyl)-2-(4-nitrophenoxy)ethanone Formula: C14H13NO4S MolecularWeight: 291.32232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)COC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)COC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H13NO4S/c1-9-7-13(10(2)20-9)14(16)8-19-12-5-3-11(4-6-12)15(17)18/h3-7H,8H2,1-2H3