1-[(2-bromophenyl)methoxy]-3-(2,5-diethoxyphenyl)-4-oxidanidyl-quinoxalin-4-ium-2-one

Systemtic Name: 1-[(2-bromophenyl)methoxy]-3-(2,5-diethoxyphenyl)-4-oxidanidyl-quinoxalin-4-ium-2-one Openeye Name: 1-[(2-bromophenyl)methoxy]-3-(2,5-diethoxyphenyl)-4-oxido-quinoxalin-4-ium-2-one CAS Name: 1-[(2-bromophenyl)methoxy]-3-(2,5-diethoxyphenyl)-4-oxido-2-quinoxalin-4-iumone IUPAC Name: 1-[(2-bromophenyl)methoxy]-3-(2,5-diethoxyphenyl)-4-oxidoquinoxalin-4-ium-2-one Traditional Name: 1-(2-bromobenzyl)oxy-3-(2,5-diethoxyphenyl)-4-oxido-quinoxalin-4-ium-2-one Formula: C25H23BrN2O5 MolecularWeight: 511.36452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)OCC)C2=[N+](C3=CC=CC=C3N(C2=O)OCC4=CC=CC=C4Br)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)OCC)C2=[N+](C3=CC=CC=C3N(C2=O)OCC4=CC=CC=C4Br)[O-]

InChI

InChI=1S/C25H23BrN2O5/c1-3-31-18-13-14-23(32-4-2)19(15-18)24-25(29)28(22-12-8-7-11-21(22)27(24)30)33-16-17-9-5-6-10-20(17)26/h5-15H,3-4,16H2,1-2H3