[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 1-thiophen-2-ylcarbonylpiperidine-4-carboxylate

Systemtic Name: [2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 1-thiophen-2-ylcarbonylpiperidine-4-carboxylate Openeye Name: [2-(3-nitroanilino)-2-oxo-ethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate CAS Name: 1-[oxo(thiophen-2-yl)methyl]-4-piperidinecarboxylic acid [2-(3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-nitroanilino)-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(2-thenoyl)isonipecotic acid [2-keto-2-(3-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(=CC=C2)[N+](=O)[O-])C(=O)C3=CC=CS3

Isomeric SMILES

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

InChI

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