[(5E)-2-(4-bromophenyl)-5-(3-oxidanylidenequinoxalin-2-ylidene)-1H-pyrazol-3-yl]methyl benzoate

Systemtic Name: [(5E)-2-(4-bromophenyl)-5-(3-oxidanylidenequinoxalin-2-ylidene)-1H-pyrazol-3-yl]methyl benzoate Openeye Name: [(5E)-2-(4-bromophenyl)-5-(3-oxoquinoxalin-2-ylidene)-1H-pyrazol-3-yl]methyl benzoate CAS Name: benzoic acid [(5E)-2-(4-bromophenyl)-5-(3-oxo-2-quinoxalinylidene)-1H-pyrazol-3-yl]methyl ester IUPAC Name: [(5E)-2-(4-bromophenyl)-5-(3-oxoquinoxalin-2-ylidene)-1H-pyrazol-3-yl]methyl benzoate Traditional Name: benzoic acid [(5E)-2-(4-bromophenyl)-5-(3-ketoquinoxalin-2-ylidene)-3-pyrazolin-3-yl]methyl ester Formula: C25H17BrN4O3 MolecularWeight: 501.33148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC2=CC(=C3C(=O)N=C4C=CC=CC4=N3)NN2C5=CC=C(C=C5)Br

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCC2=C/C(=C\3/C(=O)N=C4C=CC=CC4=N3)/NN2C5=CC=C(C=C5)Br

InChI

InChI=1S/C25H17BrN4O3/c26-17-10-12-18(13-11-17)30-19(15-33-25(32)16-6-2-1-3-7-16)14-22(29-30)23-24(31)28-21-9-5-4-8-20(21)27-23/h1-14,29H,15H2/b23-22+