1-[(4-nitrophenyl)methoxy]-4-oxidanidyl-3-(4-propoxyphenyl)quinoxalin-4-ium-2-one

Systemtic Name: 1-[(4-nitrophenyl)methoxy]-4-oxidanidyl-3-(4-propoxyphenyl)quinoxalin-4-ium-2-one Openeye Name: 1-[(4-nitrophenyl)methoxy]-4-oxido-3-(4-propoxyphenyl)quinoxalin-4-ium-2-one CAS Name: 1-[(4-nitrophenyl)methoxy]-4-oxido-3-(4-propoxyphenyl)-2-quinoxalin-4-iumone IUPAC Name: 1-[(4-nitrophenyl)methoxy]-4-oxido-3-(4-propoxyphenyl)quinoxalin-4-ium-2-one Traditional Name: 1-(4-nitrobenzyl)oxy-4-oxido-3-(4-propoxyphenyl)quinoxalin-4-ium-2-one Formula: C24H21N3O6 MolecularWeight: 447.44004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3N(C2=O)OCC4=CC=C(C=C4)[N+](=O)[O-])[O-]

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3N(C2=O)OCC4=CC=C(C=C4)[N+](=O)[O-])[O-]

InChI

InChI=1S/C24H21N3O6/c1-2-15-32-20-13-9-18(10-14-20)23-24(28)26(22-6-4-3-5-21(22)25(23)29)33-16-17-7-11-19(12-8-17)27(30)31/h3-14H,2,15-16H2,1H3