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

Systemtic Name: [4-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-2-bromanyl-6-ethoxy-phenyl] furan-2-carboxylate Openeye Name: [2-bromo-4-[(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]-6-ethoxy-phenyl] furan-2-carboxylate CAS Name: 2-furancarboxylic acid [2-bromo-4-[(3,5-dioxo-1-phenyl-4-pyrazolidinylidene)methyl]-6-ethoxyphenyl] ester IUPAC Name: [2-bromo-4-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-6-ethoxyphenyl] furan-2-carboxylate Traditional Name: furan-2-carboxylic acid [2-bromo-4-[(3,5-diketo-1-phenyl-pyrazolidin-4-ylidene)methyl]-6-ethoxy-phenyl] ester Formula: C23H17BrN2O6 MolecularWeight: 497.29488

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=CC=C3)Br)OC(=O)C4=CC=CO4

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)Br)OC(=O)C4=CC=CO4

InChI

InChI=1S/C23H17BrN2O6/c1-2-30-19-13-14(12-17(24)20(19)32-23(29)18-9-6-10-31-18)11-16-21(27)25-26(22(16)28)15-7-4-3-5-8-15/h3-13H,2H2,1H3,(H,25,27)