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

Systemtic Name: ethyl 1-[5-(3-methoxyphenyl)-2-(3-nitrophenyl)pyrazol-3-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[5-(3-methoxyphenyl)-2-(3-nitrophenyl)pyrazole-3-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[5-(3-methoxyphenyl)-2-(3-nitrophenyl)-3-pyrazolyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-(3-methoxyphenyl)-2-(3-nitrophenyl)pyrazole-3-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[5-(3-methoxyphenyl)-2-(3-nitrophenyl)pyrazole-3-carbonyl]isonipecotic acid ethyl ester Formula: C25H26N4O6 MolecularWeight: 478.49714

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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(=CC=C4)OC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)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)17-10-12-27(13-11-17)24(30)23-16-22(18-6-4-9-21(14-18)34-2)26-28(23)19-7-5-8-20(15-19)29(32)33/h4-9,14-17H,3,10-13H2,1-2H3