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

Systemtic Name: 3-(1-benzofuran-2-yl)-1-[(4-tert-butylphenyl)methoxy]-4-oxidanidyl-quinoxalin-4-ium-2-one Openeye Name: 3-(benzofuran-2-yl)-1-[(4-tert-butylphenyl)methoxy]-4-oxido-quinoxalin-4-ium-2-one CAS Name: 3-(2-benzofuranyl)-1-[(4-tert-butylphenyl)methoxy]-4-oxido-2-quinoxalin-4-iumone IUPAC Name: 3-(1-benzofuran-2-yl)-1-[(4-tert-butylphenyl)methoxy]-4-oxidoquinoxalin-4-ium-2-one Traditional Name: 3-(benzofuran-2-yl)-1-(4-tert-butylbenzyl)oxy-4-oxido-quinoxalin-4-ium-2-one Formula: C27H24N2O4 MolecularWeight: 440.49046

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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=CC5=CC=CC=C5O4)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CON2C3=CC=CC=C3[N+](=C(C2=O)C4=CC5=CC=CC=C5O4)[O-]

InChI

InChI=1S/C27H24N2O4/c1-27(2,3)20-14-12-18(13-15-20)17-32-29-22-10-6-5-9-21(22)28(31)25(26(29)30)24-16-19-8-4-7-11-23(19)33-24/h4-16H,17H2,1-3H3