[2-(2,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: [2-(2,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: [2-(2,4-dimethoxyphenyl)-2-oxo-ethyl] 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [2-(2,4-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid [2-(2,4-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C19H15NO7S MolecularWeight: 401.3899

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)COC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)COC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C19H15NO7S/c1-25-13-4-5-14(16(9-13)26-2)15(21)10-27-19(22)18-8-11-7-12(20(23)24)3-6-17(11)28-18/h3-9H,10H2,1-2H3