3-(4-bromophenyl)-1-[(4-tert-butylphenyl)methoxy]-4-oxidanidyl-quinoxalin-4-ium-2-one

Systemtic Name: 3-(4-bromophenyl)-1-[(4-tert-butylphenyl)methoxy]-4-oxidanidyl-quinoxalin-4-ium-2-one Openeye Name: 3-(4-bromophenyl)-1-[(4-tert-butylphenyl)methoxy]-4-oxido-quinoxalin-4-ium-2-one CAS Name: 3-(4-bromophenyl)-1-[(4-tert-butylphenyl)methoxy]-4-oxido-2-quinoxalin-4-iumone IUPAC Name: 3-(4-bromophenyl)-1-[(4-tert-butylphenyl)methoxy]-4-oxidoquinoxalin-4-ium-2-one Traditional Name: 3-(4-bromophenyl)-1-(4-tert-butylbenzyl)oxy-4-oxido-quinoxalin-4-ium-2-one Formula: C25H23BrN2O3 MolecularWeight: 479.36572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CON2C3=CC=CC=C3[N+](=C(C2=O)C4=CC=C(C=C4)Br)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CON2C3=CC=CC=C3[N+](=C(C2=O)C4=CC=C(C=C4)Br)[O-]

InChI

InChI=1S/C25H23BrN2O3/c1-25(2,3)19-12-8-17(9-13-19)16-31-28-22-7-5-4-6-21(22)27(30)23(24(28)29)18-10-14-20(26)15-11-18/h4-15H,16H2,1-3H3