methyl 1-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]piperidine-4-carboxylate CAS Name: 1-[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]isonipecotic acid methyl ester Formula: C14H20N4O5 MolecularWeight: 324.3324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)N2CCC(CC2)C(=O)OC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)N2CCC(CC2)C(=O)OC)C)[N+](=O)[O-]

InChI

InChI=1S/C14H20N4O5/c1-9-13(18(21)22)10(2)17(15-9)8-12(19)16-6-4-11(5-7-16)14(20)23-3/h11H,4-8H2,1-3H3