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

Systemtic Name: 2-(3-bromanylphenoxy)ethyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: 2-(3-bromophenoxy)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-bromophenoxy)ethyl ester IUPAC Name: 2-(3-bromophenoxy)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-bromophenoxy)ethyl ester Formula: C15H16BrN3O5 MolecularWeight: 398.20864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16BrN3O5/c1-10-15(19(21)22)11(2)18(17-10)9-14(20)24-7-6-23-13-5-3-4-12(16)8-13/h3-5,8H,6-7,9H2,1-2H3