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

Systemtic Name: O1-methyl O3-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-methyl O3-[2-oxo-2-(2-thienylmethylamino)ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: 1-O-methyl 3-O-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-keto-2-(2-thenylamino)ethyl] ester O1-methyl ester Formula: C16H14N2O7S MolecularWeight: 378.35656

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NCC2=CC=CS2

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NCC2=CC=CS2

InChI

InChI=1S/C16H14N2O7S/c1-24-15(20)10-5-11(7-12(6-10)18(22)23)16(21)25-9-14(19)17-8-13-3-2-4-26-13/h2-7H,8-9H2,1H3,(H,17,19)