(2-bromanyl-4,5-diethoxy-phenyl)methyl 2-oxidanylidene-2-(1,3,5-trimethylpyrazol-4-yl)ethanoate

Systemtic Name: (2-bromanyl-4,5-diethoxy-phenyl)methyl 2-oxidanylidene-2-(1,3,5-trimethylpyrazol-4-yl)ethanoate Openeye Name: (2-bromo-4,5-diethoxy-phenyl)methyl 2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetate CAS Name: 2-oxo-2-(1,3,5-trimethyl-4-pyrazolyl)acetic acid (2-bromo-4,5-diethoxyphenyl)methyl ester IUPAC Name: (2-bromo-4,5-diethoxyphenyl)methyl 2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetate Traditional Name: 2-keto-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid (2-bromo-4,5-diethoxy-benzyl) ester Formula: C19H23BrN2O5 MolecularWeight: 439.30032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)COC(=O)C(=O)C2=C(N(N=C2C)C)C)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)COC(=O)C(=O)C2=C(N(N=C2C)C)C)Br)OCC

InChI

InChI=1S/C19H23BrN2O5/c1-6-25-15-8-13(14(20)9-16(15)26-7-2)10-27-19(24)18(23)17-11(3)21-22(5)12(17)4/h8-9H,6-7,10H2,1-5H3