[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: [2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: [2-(3,4-dimethoxyphenyl)-2-oxo-ethyl] 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [2-(3,4-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid [2-(3,4-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C19H15NO7S MolecularWeight: 401.3899

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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