O1-methyl O3-[2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-methyl O3-[2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-methyl O3-[2-oxo-2-[2-(2-thienyl)ethylamino]ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] ester IUPAC Name: 1-O-methyl 3-O-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-keto-2-[2-(2-thienyl)ethylamino]ethyl] ester O1-methyl ester Formula: C17H16N2O7S MolecularWeight: 392.38314

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NCCC2=CC=CS2

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NCCC2=CC=CS2

InChI

InChI=1S/C17H16N2O7S/c1-25-16(21)11-7-12(9-13(8-11)19(23)24)17(22)26-10-15(20)18-5-4-14-3-2-6-27-14/h2-3,6-9H,4-5,10H2,1H3,(H,18,20)