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

Systemtic Name: ethyl 1-[2-(4-nitrophenyl)-5-phenyl-pyrazol-3-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[2-(4-nitrophenyl)-5-phenyl-pyrazole-3-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[2-(4-nitrophenyl)-5-phenyl-3-pyrazolyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-nitrophenyl)-5-phenylpyrazole-3-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[2-(4-nitrophenyl)-5-phenyl-pyrazole-3-carbonyl]isonipecotic acid ethyl ester Formula: C24H24N4O5 MolecularWeight: 448.47116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N4O5/c1-2-33-24(30)18-12-14-26(15-13-18)23(29)22-16-21(17-6-4-3-5-7-17)25-27(22)19-8-10-20(11-9-19)28(31)32/h3-11,16,18H,2,12-15H2,1H3