butyl 2-[4-[4-methyl-3-oxidanylidene-5-(trifluoromethyl)pyrazin-2-yl]-2-nitro-phenoxy]ethanoate

Systemtic Name: butyl 2-[4-[4-methyl-3-oxidanylidene-5-(trifluoromethyl)pyrazin-2-yl]-2-nitro-phenoxy]ethanoate Openeye Name: butyl 2-[4-[4-methyl-3-oxo-5-(trifluoromethyl)pyrazin-2-yl]-2-nitro-phenoxy]acetate CAS Name: 2-[4-[4-methyl-3-oxo-5-(trifluoromethyl)-2-pyrazinyl]-2-nitrophenoxy]acetic acid butyl ester IUPAC Name: butyl 2-[4-[4-methyl-3-oxo-5-(trifluoromethyl)pyrazin-2-yl]-2-nitrophenoxy]acetate Traditional Name: 2-[4-[3-keto-4-methyl-5-(trifluoromethyl)pyrazin-2-yl]-2-nitro-phenoxy]acetic acid butyl ester Formula: C18H18F3N3O6 MolecularWeight: 429.34723

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)COC1=C(C=C(C=C1)C2=NC=C(N(C2=O)C)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)COC1=C(C=C(C=C1)C2=NC=C(N(C2=O)C)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H18F3N3O6/c1-3-4-7-29-15(25)10-30-13-6-5-11(8-12(13)24(27)28)16-17(26)23(2)14(9-22-16)18(19,20)21/h5-6,8-9H,3-4,7,10H2,1-2H3