[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1-thiophen-2-ylcarbonylpiperidine-4-carboxylate

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1-thiophen-2-ylcarbonylpiperidine-4-carboxylate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-ethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate CAS Name: 1-[oxo(thiophen-2-yl)methyl]-4-piperidinecarboxylic acid [2-(2-bromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(2-thenoyl)isonipecotic acid [2-(2-bromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C19H18BrN3O6S MolecularWeight: 496.33172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrN3O6S/c20-14-10-13(23(27)28)3-4-15(14)21-17(24)11-29-19(26)12-5-7-22(8-6-12)18(25)16-2-1-9-30-16/h1-4,9-10,12H,5-8,11H2,(H,21,24)