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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O7S/c1-2-25-16(21)11-6-12(8-13(7-11)19(23)24)17(22)26-10-15(20)18-9-14-4-3-5-27-14/h3-8H,2,9-10H2,1H3,(H,18,20)