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

Systemtic Name: 2-(3,5-dimethylphenoxy)ethyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: 2-(3,5-dimethylphenoxy)ethyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetate CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetic acid 2-(3,5-dimethylphenoxy)ethyl ester IUPAC Name: 2-(3,5-dimethylphenoxy)ethyl 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid 2-(3,5-dimethylphenoxy)ethyl ester Formula: C17H21N3O5 MolecularWeight: 347.36574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCOC(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCOC(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C)C

InChI

InChI=1S/C17H21N3O5/c1-11-7-12(2)9-15(8-11)24-5-6-25-16(21)10-19-14(4)17(20(22)23)13(3)18-19/h7-9H,5-6,10H2,1-4H3