ethyl 1-[2-(3-nitrophenyl)-5-thiophen-2-yl-pyrazol-3-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-(3-nitrophenyl)-5-thiophen-2-yl-pyrazol-3-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[2-(3-nitrophenyl)-5-(2-thienyl)pyrazole-3-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[2-(3-nitrophenyl)-5-thiophen-2-yl-3-pyrazolyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3-nitrophenyl)-5-thiophen-2-ylpyrazole-3-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[2-(3-nitrophenyl)-5-(2-thienyl)pyrazole-3-carbonyl]isonipecotic acid ethyl ester Formula: C22H22N4O5S MolecularWeight: 454.49888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=NN2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CS4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=NN2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CS4

InChI

InChI=1S/C22H22N4O5S/c1-2-31-22(28)15-8-10-24(11-9-15)21(27)19-14-18(20-7-4-12-32-20)23-25(19)16-5-3-6-17(13-16)26(29)30/h3-7,12-15H,2,8-11H2,1H3