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

Systemtic Name: O1-methyl O3-[2-oxidanylidene-2-(2-thiophen-2-ylcarbonylhydrazinyl)ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-methyl O3-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazino]ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[2-oxo-2-[[oxo(thiophen-2-yl)methyl]hydrazo]ethyl] ester IUPAC Name: 1-O-methyl 3-O-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-keto-2-[N'-(2-thenoyl)hydrazino]ethyl] ester O1-methyl ester Formula: C16H13N3O8S MolecularWeight: 407.35472

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NNC(=O)C2=CC=CS2

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NNC(=O)C2=CC=CS2

InChI

InChI=1S/C16H13N3O8S/c1-26-15(22)9-5-10(7-11(6-9)19(24)25)16(23)27-8-13(20)17-18-14(21)12-3-2-4-28-12/h2-7H,8H2,1H3,(H,17,20)(H,18,21)