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

Systemtic Name: ethyl 1-[2-(4-chlorophenyl)-5-(4-nitrophenyl)pyrazol-3-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[2-(4-chlorophenyl)-5-(4-nitrophenyl)pyrazole-3-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[2-(4-chlorophenyl)-5-(4-nitrophenyl)-3-pyrazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-chlorophenyl)-5-(4-nitrophenyl)pyrazole-3-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[2-(4-chlorophenyl)-5-(4-nitrophenyl)pyrazole-3-carbonyl]nipecotic acid ethyl ester Formula: C24H23ClN4O5 MolecularWeight: 482.91622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23ClN4O5/c1-2-34-24(31)17-4-3-13-27(15-17)23(30)22-14-21(16-5-9-20(10-6-16)29(32)33)26-28(22)19-11-7-18(25)8-12-19/h5-12,14,17H,2-4,13,15H2,1H3