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

Systemtic Name: 1-[(4-tert-butylphenyl)methoxy]-3-(4-ethoxyphenyl)-4-oxidanidyl-quinoxalin-4-ium-2-one Openeye Name: 1-[(4-tert-butylphenyl)methoxy]-3-(4-ethoxyphenyl)-4-oxido-quinoxalin-4-ium-2-one CAS Name: 1-[(4-tert-butylphenyl)methoxy]-3-(4-ethoxyphenyl)-4-oxido-2-quinoxalin-4-iumone IUPAC Name: 1-[(4-tert-butylphenyl)methoxy]-3-(4-ethoxyphenyl)-4-oxidoquinoxalin-4-ium-2-one Traditional Name: 1-(4-tert-butylbenzyl)oxy-4-oxido-3-p-phenetyl-quinoxalin-4-ium-2-one Formula: C27H28N2O4 MolecularWeight: 444.52222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3N(C2=O)OCC4=CC=C(C=C4)C(C)(C)C)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3N(C2=O)OCC4=CC=C(C=C4)C(C)(C)C)[O-]

InChI

InChI=1S/C27H28N2O4/c1-5-32-22-16-12-20(13-17-22)25-26(30)29(24-9-7-6-8-23(24)28(25)31)33-18-19-10-14-21(15-11-19)27(2,3)4/h6-17H,5,18H2,1-4H3