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

Systemtic Name: [2-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-4-bromanyl-phenyl] furan-2-carboxylate Openeye Name: [4-bromo-2-[(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]phenyl] furan-2-carboxylate CAS Name: 2-furancarboxylic acid [4-bromo-2-[(3,5-dioxo-1-phenyl-4-pyrazolidinylidene)methyl]phenyl] ester IUPAC Name: [4-bromo-2-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenyl] furan-2-carboxylate Traditional Name: furan-2-carboxylic acid [4-bromo-2-[(3,5-diketo-1-phenyl-pyrazolidin-4-ylidene)methyl]phenyl] ester Formula: C21H13BrN2O5 MolecularWeight: 453.24232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(=CC3=C(C=CC(=C3)Br)OC(=O)C4=CC=CO4)C(=O)N2

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C(=CC3=C(C=CC(=C3)Br)OC(=O)C4=CC=CO4)C(=O)N2

InChI

InChI=1S/C21H13BrN2O5/c22-14-8-9-17(29-21(27)18-7-4-10-28-18)13(11-14)12-16-19(25)23-24(20(16)26)15-5-2-1-3-6-15/h1-12H,(H,23,25)