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

Systemtic Name: methyl 2-[4-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-5-bromanyl-2-ethoxy-phenoxy]ethanoate Openeye Name: methyl 2-[5-bromo-4-[(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]-2-ethoxy-phenoxy]acetate CAS Name: 2-[5-bromo-4-[(3,5-dioxo-1-phenyl-4-pyrazolidinylidene)methyl]-2-ethoxyphenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[5-bromo-4-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-ethoxyphenoxy]acetate Traditional Name: 2-[5-bromo-4-[(3,5-diketo-1-phenyl-pyrazolidin-4-ylidene)methyl]-2-ethoxy-phenoxy]acetic acid methyl ester Formula: C21H19BrN2O6 MolecularWeight: 475.28936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrN2O6/c1-3-29-17-10-13(16(22)11-18(17)30-12-19(25)28-2)9-15-20(26)23-24(21(15)27)14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3,(H,23,26)