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

Systemtic Name: ethyl (3R)-1-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoyl]piperidine-3-carboxylate Openeye Name: ethyl (3R)-1-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]piperidine-3-carboxylate CAS Name: (3R)-1-[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]piperidine-3-carboxylate Traditional Name: (3R)-1-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]nipecotic acid ethyl ester Formula: C15H22N4O5 MolecularWeight: 338.35898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)[C@@H]1CCCN(C1)C(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C

InChI

InChI=1S/C15H22N4O5/c1-4-24-15(21)12-6-5-7-17(8-12)13(20)9-18-11(3)14(19(22)23)10(2)16-18/h12H,4-9H2,1-3H3/t12-/m1/s1