[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 1-thiophen-2-ylcarbonylpiperidine-4-carboxylate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 1-thiophen-2-ylcarbonylpiperidine-4-carboxylate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate CAS Name: 1-[oxo(thiophen-2-yl)methyl]-4-piperidinecarboxylic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(2-thenoyl)isonipecotic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C20H20N2O6S MolecularWeight: 416.4476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)C2CCN(CC2)C(=O)C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)C2CCN(CC2)C(=O)C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O6S/c1-13-4-5-15(11-16(13)22(26)27)17(23)12-28-20(25)14-6-8-21(9-7-14)19(24)18-3-2-10-29-18/h2-5,10-11,14H,6-9,12H2,1H3