[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] 1-thiophen-2-ylcarbonylpiperidine-4-carboxylate

Systemtic Name: [2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] 1-thiophen-2-ylcarbonylpiperidine-4-carboxylate Openeye Name: [2-(4-nitroanilino)-2-oxo-ethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate CAS Name: 1-[oxo(thiophen-2-yl)methyl]-4-piperidinecarboxylic acid [2-(4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-nitroanilino)-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(2-thenoyl)isonipecotic acid [2-keto-2-(4-nitroanilino)ethyl] ester Formula: C19H19N3O6S MolecularWeight: 417.43566

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CS3

InChI

InChI=1S/C19H19N3O6S/c23-17(20-14-3-5-15(6-4-14)22(26)27)12-28-19(25)13-7-9-21(10-8-13)18(24)16-2-1-11-29-16/h1-6,11,13H,7-10,12H2,(H,20,23)