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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=NN2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CS4

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=NN2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CS4

InChI

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