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

Systemtic Name: [2-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-4-chloranyl-phenyl] 4-bromanylbenzoate Openeye Name: [4-chloro-2-[(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [4-chloro-2-[(3,5-dioxo-1-phenyl-4-pyrazolidinylidene)methyl]phenyl] ester IUPAC Name: [4-chloro-2-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [4-chloro-2-[(3,5-diketo-1-phenyl-pyrazolidin-4-ylidene)methyl]phenyl] ester Formula: C23H14BrClN2O4 MolecularWeight: 497.72526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H14BrClN2O4/c24-16-8-6-14(7-9-16)23(30)31-20-11-10-17(25)12-15(20)13-19-21(28)26-27(22(19)29)18-4-2-1-3-5-18/h1-13H,(H,26,28)