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

Systemtic Name: methyl 2-[5-bromanyl-2-ethoxy-4-[(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]phenoxy]ethanoate Openeye Name: methyl 2-[5-bromo-2-ethoxy-4-[(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]phenoxy]acetate CAS Name: 2-[5-bromo-2-ethoxy-4-[(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[5-bromo-2-ethoxy-4-[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]phenoxy]acetate Traditional Name: 2-[5-bromo-2-ethoxy-4-[(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]phenoxy]acetic acid methyl ester Formula: C22H21BrN2O5 MolecularWeight: 473.31654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21BrN2O5/c1-4-29-19-11-15(18(23)12-20(19)30-13-21(26)28-3)10-17-14(2)24-25(22(17)27)16-8-6-5-7-9-16/h5-12H,4,13H2,1-3H3