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

Systemtic Name: ethyl 1-[5-(2-chlorophenyl)-2-(3-nitrophenyl)pyrazol-3-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[5-(2-chlorophenyl)-2-(3-nitrophenyl)pyrazole-3-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[5-(2-chlorophenyl)-2-(3-nitrophenyl)-3-pyrazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-(2-chlorophenyl)-2-(3-nitrophenyl)pyrazole-3-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[5-(2-chlorophenyl)-2-(3-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(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4Cl

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=NN2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4Cl

InChI

InChI=1S/C24H23ClN4O5/c1-2-34-24(31)16-7-6-12-27(15-16)23(30)22-14-21(19-10-3-4-11-20(19)25)26-28(22)17-8-5-9-18(13-17)29(32)33/h3-5,8-11,13-14,16H,2,6-7,12,15H2,1H3