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

Systemtic Name: 2-phenoxyethyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: 2-phenoxyethyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetate CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid 2-phenoxyethyl ester Formula: C15H17N3O5 MolecularWeight: 319.31258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O5/c1-11-15(18(20)21)12(2)17(16-11)10-14(19)23-9-8-22-13-6-4-3-5-7-13/h3-7H,8-10H2,1-2H3