[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 5-nitrothiophene-2-carboxylate

Systemtic Name: [2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 5-nitrothiophene-2-carboxylate Openeye Name: [2-(3,4-dimethoxyphenyl)-2-oxo-ethyl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [2-(3,4-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [2-(3,4-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C15H13NO7S MolecularWeight: 351.33122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13NO7S/c1-21-11-4-3-9(7-12(11)22-2)10(17)8-23-15(18)13-5-6-14(24-13)16(19)20/h3-7H,8H2,1-2H3