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

Systemtic Name: ethyl 1-[5-(3-methoxyphenyl)-2-(3-nitrophenyl)pyrazol-3-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[5-(3-methoxyphenyl)-2-(3-nitrophenyl)pyrazole-3-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[5-(3-methoxyphenyl)-2-(3-nitrophenyl)-3-pyrazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-(3-methoxyphenyl)-2-(3-nitrophenyl)pyrazole-3-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[5-(3-methoxyphenyl)-2-(3-nitrophenyl)pyrazole-3-carbonyl]nipecotic acid ethyl ester Formula: C25H26N4O6 MolecularWeight: 478.49714

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(=CC=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H26N4O6/c1-3-35-25(31)18-8-6-12-27(16-18)24(30)23-15-22(17-7-4-11-21(13-17)34-2)26-28(23)19-9-5-10-20(14-19)29(32)33/h4-5,7,9-11,13-15,18H,3,6,8,12,16H2,1-2H3