(2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl) 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate

Systemtic Name: (2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl) 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: [2-oxo-1-phenyl-2-(1-piperidyl)ethyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetate CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetic acid [2-oxo-1-phenyl-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid (2-keto-1-phenyl-2-piperidino-ethyl) ester Formula: C20H24N4O5 MolecularWeight: 400.42836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)OC(C2=CC=CC=C2)C(=O)N3CCCCC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)OC(C2=CC=CC=C2)C(=O)N3CCCCC3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O5/c1-14-18(24(27)28)15(2)23(21-14)13-17(25)29-19(16-9-5-3-6-10-16)20(26)22-11-7-4-8-12-22/h3,5-6,9-10,19H,4,7-8,11-13H2,1-2H3