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

Systemtic Name: [2-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-4-bromanyl-phenyl] 4-chloranylbenzoate Openeye Name: [4-bromo-2-[(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]phenyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic 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] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [4-bromo-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)Br)OC(=O)C4=CC=C(C=C4)Cl)C(=O)N2

Isomeric SMILES

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

InChI

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