2-(4-cyanophenoxy)ethyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate

Systemtic Name: 2-(4-cyanophenoxy)ethyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: 2-(4-cyanophenoxy)ethyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetate CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetic acid 2-(4-cyanophenoxy)ethyl ester IUPAC Name: 2-(4-cyanophenoxy)ethyl 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid 2-(4-cyanophenoxy)ethyl ester Formula: C16H16N4O5 MolecularWeight: 344.32204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)OCCOC2=CC=C(C=C2)C#N)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)OCCOC2=CC=C(C=C2)C#N)C)[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O5/c1-11-16(20(22)23)12(2)19(18-11)10-15(21)25-8-7-24-14-5-3-13(9-17)4-6-14/h3-6H,7-8,10H2,1-2H3