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

Systemtic Name: 1-[(4-tert-butylphenyl)methoxy]-4-oxidanidyl-3-(4-phenoxyphenyl)quinoxalin-4-ium-2-one Openeye Name: 1-[(4-tert-butylphenyl)methoxy]-4-oxido-3-(4-phenoxyphenyl)quinoxalin-4-ium-2-one CAS Name: 1-[(4-tert-butylphenyl)methoxy]-4-oxido-3-(4-phenoxyphenyl)-2-quinoxalin-4-iumone IUPAC Name: 1-[(4-tert-butylphenyl)methoxy]-4-oxido-3-(4-phenoxyphenyl)quinoxalin-4-ium-2-one Traditional Name: 1-(4-tert-butylbenzyl)oxy-4-oxido-3-(4-phenoxyphenyl)quinoxalin-4-ium-2-one Formula: C31H28N2O4 MolecularWeight: 492.56502

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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)OC5=CC=CC=C5)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CON2C3=CC=CC=C3[N+](=C(C2=O)C4=CC=C(C=C4)OC5=CC=CC=C5)[O-]

InChI

InChI=1S/C31H28N2O4/c1-31(2,3)24-17-13-22(14-18-24)21-36-33-28-12-8-7-11-27(28)32(35)29(30(33)34)23-15-19-26(20-16-23)37-25-9-5-4-6-10-25/h4-20H,21H2,1-3H3