ethyl 1-[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoyl]piperidine-4-carboxylate CAS Name: 1-[[4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]phenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoyl]isonipecotic acid ethyl ester Formula: C21H26N4O5 MolecularWeight: 414.45494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

InChI

InChI=1S/C21H26N4O5/c1-4-30-21(27)18-9-11-23(12-10-18)20(26)17-7-5-16(6-8-17)13-24-15(3)19(25(28)29)14(2)22-24/h5-8,18H,4,9-13H2,1-3H3