(5-ethanoyl-2-ethoxy-phenyl)methyl 5-nitrothiophene-2-carboxylate

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl 5-nitrothiophene-2-carboxylate Openeye Name: (5-acetyl-2-ethoxy-phenyl)methyl 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid (5-acetyl-2-ethoxy-benzyl) ester Formula: C16H15NO6S MolecularWeight: 349.3584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2=CC=C(S2)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2=CC=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C16H15NO6S/c1-3-22-13-5-4-11(10(2)18)8-12(13)9-23-16(19)14-6-7-15(24-14)17(20)21/h4-8H,3,9H2,1-2H3