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

Systemtic Name: [4-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-2-bromanyl-phenyl] ethanoate Openeye Name: [2-bromo-4-[(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]phenyl] acetate CAS Name: acetic acid [2-bromo-4-[(3,5-dioxo-1-phenyl-4-pyrazolidinylidene)methyl]phenyl] ester IUPAC Name: [2-bromo-4-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenyl] acetate Traditional Name: acetic acid [2-bromo-4-[(3,5-diketo-1-phenyl-pyrazolidin-4-ylidene)methyl]phenyl] ester Formula: C18H13BrN2O4 MolecularWeight: 401.21082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13BrN2O4/c1-11(22)25-16-8-7-12(10-15(16)19)9-14-17(23)20-21(18(14)24)13-5-3-2-4-6-13/h2-10H,1H3,(H,20,23)