methyl 2-[5-bromanyl-2-methoxy-4-[(E)-(5-oxidanylidene-1-phenyl-3-propyl-pyrazol-4-ylidene)methyl]phenoxy]ethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=CC2=CC(=C(C=C2Br)OCC(=O)OC)OC)C3=CC=CC=C3

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C/C2=CC(=C(C=C2Br)OCC(=O)OC)OC)C3=CC=CC=C3

InChI

InChI=1S/C23H23BrN2O5/c1-4-8-19-17(23(28)26(25-19)16-9-6-5-7-10-16)11-15-12-20(29-2)21(13-18(15)24)31-14-22(27)30-3/h5-7,9-13H,4,8,14H2,1-3H3/b17-11+