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

Systemtic Name: ethyl 1-[5-(1-methylpyrrol-2-yl)-2-(3-nitrophenyl)pyrazol-3-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[5-(1-methylpyrrol-2-yl)-2-(3-nitrophenyl)pyrazole-3-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[5-(1-methyl-2-pyrrolyl)-2-(3-nitrophenyl)-3-pyrazolyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-(1-methylpyrrol-2-yl)-2-(3-nitrophenyl)pyrazole-3-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[5-(1-methylpyrrol-2-yl)-2-(3-nitrophenyl)pyrazole-3-carbonyl]isonipecotic acid ethyl ester Formula: C23H25N5O5 MolecularWeight: 451.4751

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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=CN4C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=NN2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CN4C

InChI

InChI=1S/C23H25N5O5/c1-3-33-23(30)16-9-12-26(13-10-16)22(29)21-15-19(20-8-5-11-25(20)2)24-27(21)17-6-4-7-18(14-17)28(31)32/h4-8,11,14-16H,3,9-10,12-13H2,1-2H3