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

Systemtic Name: [2-bromanyl-6-ethoxy-4-[[1-(4-iodophenyl)-3,5-bis(oxidanylidene)pyrazolidin-4-ylidene]methyl]phenyl] ethanoate Openeye Name: [2-bromo-6-ethoxy-4-[[1-(4-iodophenyl)-3,5-dioxo-pyrazolidin-4-ylidene]methyl]phenyl] acetate CAS Name: acetic acid [2-bromo-6-ethoxy-4-[[1-(4-iodophenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl]phenyl] ester IUPAC Name: [2-bromo-6-ethoxy-4-[[1-(4-iodophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl]phenyl] acetate Traditional Name: acetic acid [2-bromo-6-ethoxy-4-[[1-(4-iodophenyl)-3,5-diketo-pyrazolidin-4-ylidene]methyl]phenyl] ester Formula: C20H16BrIN2O5 MolecularWeight: 571.15991

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16BrIN2O5/c1-3-28-17-10-12(9-16(21)18(17)29-11(2)25)8-15-19(26)23-24(20(15)27)14-6-4-13(22)5-7-14/h4-10H,3H2,1-2H3,(H,23,26)