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

Systemtic Name: [4-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-2-methoxy-phenyl] 4-bromanylbenzoate Openeye Name: [4-[(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]-2-methoxy-phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [4-[(3,5-dioxo-1-phenyl-4-pyrazolidinylidene)methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-methoxyphenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [4-[(3,5-diketo-1-phenyl-pyrazolidin-4-ylidene)methyl]-2-methoxy-phenyl] ester Formula: C24H17BrN2O5 MolecularWeight: 493.30618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

COC1=C(C=CC(=C1)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C24H17BrN2O5/c1-31-21-14-15(7-12-20(21)32-24(30)16-8-10-17(25)11-9-16)13-19-22(28)26-27(23(19)29)18-5-3-2-4-6-18/h2-14H,1H3,(H,26,28)