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

Systemtic Name: 2-(4-tert-butylphenoxy)ethyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: 2-(4-tert-butylphenoxy)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-tert-butylphenoxy)ethyl ester IUPAC Name: 2-(4-tert-butylphenoxy)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-tert-butylphenoxy)ethyl ester Formula: C19H25N3O5 MolecularWeight: 375.4189

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O5/c1-13-18(22(24)25)14(2)21(20-13)12-17(23)27-11-10-26-16-8-6-15(7-9-16)19(3,4)5/h6-9H,10-12H2,1-5H3