methyl 2-[4-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-2-bromanyl-6-ethoxy-phenoxy]propanoate

Systemtic Name: methyl 2-[4-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-2-bromanyl-6-ethoxy-phenoxy]propanoate Openeye Name: methyl 2-[2-bromo-4-[(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]-6-ethoxy-phenoxy]propanoate CAS Name: 2-[2-bromo-4-[(3,5-dioxo-1-phenyl-4-pyrazolidinylidene)methyl]-6-ethoxyphenoxy]propanoic acid methyl ester IUPAC Name: methyl 2-[2-bromo-4-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-6-ethoxyphenoxy]propanoate Traditional Name: 2-[2-bromo-4-[(3,5-diketo-1-phenyl-pyrazolidin-4-ylidene)methyl]-6-ethoxy-phenoxy]propionic acid methyl ester Formula: C22H21BrN2O6 MolecularWeight: 489.31594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21BrN2O6/c1-4-30-18-12-14(11-17(23)19(18)31-13(2)22(28)29-3)10-16-20(26)24-25(21(16)27)15-8-6-5-7-9-15/h5-13H,4H2,1-3H3,(H,24,26)