ethyl 2-[2-bromanyl-6-ethoxy-4-[(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]phenoxy]ethanoate

Systemtic Name: ethyl 2-[2-bromanyl-6-ethoxy-4-[(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]phenoxy]ethanoate Openeye Name: ethyl 2-[2-bromo-6-ethoxy-4-[(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]phenoxy]acetate CAS Name: 2-[2-bromo-6-ethoxy-4-[(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]phenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-bromo-6-ethoxy-4-[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]phenoxy]acetate Traditional Name: 2-[2-bromo-6-ethoxy-4-[(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]phenoxy]acetic acid ethyl ester Formula: C23H23BrN2O5 MolecularWeight: 487.34312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=NN(C2=O)C3=CC=CC=C3)C)Br)OCC(=O)OCC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C2C(=NN(C2=O)C3=CC=CC=C3)C)Br)OCC(=O)OCC

InChI

InChI=1S/C23H23BrN2O5/c1-4-29-20-13-16(12-19(24)22(20)31-14-21(27)30-5-2)11-18-15(3)25-26(23(18)28)17-9-7-6-8-10-17/h6-13H,4-5,14H2,1-3H3