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

Systemtic Name: [2-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]phenyl] 4-bromanylbenzoate Openeye Name: [2-[(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-[(3,5-dioxo-1-phenyl-4-pyrazolidinylidene)methyl]phenyl] ester IUPAC Name: [2-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-[(3,5-diketo-1-phenyl-pyrazolidin-4-ylidene)methyl]phenyl] ester Formula: C23H15BrN2O4 MolecularWeight: 463.2802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=CC=C3OC(=O)C4=CC=C(C=C4)Br)C(=O)N2

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=CC=C3OC(=O)C4=CC=C(C=C4)Br)C(=O)N2

InChI

InChI=1S/C23H15BrN2O4/c24-17-12-10-15(11-13-17)23(29)30-20-9-5-4-6-16(20)14-19-21(27)25-26(22(19)28)18-7-2-1-3-8-18/h1-14H,(H,25,27)