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

Systemtic Name: ethyl 2-[2-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-4-bromanyl-phenoxy]propanoate Openeye Name: ethyl 2-[4-bromo-2-[(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]phenoxy]propanoate CAS Name: 2-[4-bromo-2-[(3,5-dioxo-1-phenyl-4-pyrazolidinylidene)methyl]phenoxy]propanoic acid ethyl ester IUPAC Name: ethyl 2-[4-bromo-2-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy]propanoate Traditional Name: 2-[4-bromo-2-[(3,5-diketo-1-phenyl-pyrazolidin-4-ylidene)methyl]phenoxy]propionic acid ethyl ester Formula: C21H19BrN2O5 MolecularWeight: 459.28996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)OC1=C(C=C(C=C1)Br)C=C2C(=O)NN(C2=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(C)OC1=C(C=C(C=C1)Br)C=C2C(=O)NN(C2=O)C3=CC=CC=C3

InChI

InChI=1S/C21H19BrN2O5/c1-3-28-21(27)13(2)29-18-10-9-15(22)11-14(18)12-17-19(25)23-24(20(17)26)16-7-5-4-6-8-16/h4-13H,3H2,1-2H3,(H,23,25)