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

Systemtic Name: [2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)amino]ethyl] 5-nitrothiophene-2-carboxylate Openeye Name: [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] ester IUPAC Name: [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [2-keto-2-(3,4,5-trimethoxyanilino)ethyl] ester Formula: C16H16N2O8S MolecularWeight: 396.37184

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)COC(=O)C2=CC=C(S2)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)COC(=O)C2=CC=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O8S/c1-23-10-6-9(7-11(24-2)15(10)25-3)17-13(19)8-26-16(20)12-4-5-14(27-12)18(21)22/h4-7H,8H2,1-3H3,(H,17,19)