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

Systemtic Name: 1-[(2-nitrophenyl)methoxy]-4-oxidanidyl-3-(4-phenoxyphenyl)quinoxalin-4-ium-2-one Openeye Name: 1-[(2-nitrophenyl)methoxy]-4-oxido-3-(4-phenoxyphenyl)quinoxalin-4-ium-2-one CAS Name: 1-[(2-nitrophenyl)methoxy]-4-oxido-3-(4-phenoxyphenyl)-2-quinoxalin-4-iumone IUPAC Name: 1-[(2-nitrophenyl)methoxy]-4-oxido-3-(4-phenoxyphenyl)quinoxalin-4-ium-2-one Traditional Name: 1-(2-nitrobenzyl)oxy-4-oxido-3-(4-phenoxyphenyl)quinoxalin-4-ium-2-one Formula: C27H19N3O6 MolecularWeight: 481.45626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=[N+](C4=CC=CC=C4N(C3=O)OCC5=CC=CC=C5[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=[N+](C4=CC=CC=C4N(C3=O)OCC5=CC=CC=C5[N+](=O)[O-])[O-]

InChI

InChI=1S/C27H19N3O6/c31-27-26(19-14-16-22(17-15-19)36-21-9-2-1-3-10-21)28(32)24-12-6-7-13-25(24)29(27)35-18-20-8-4-5-11-23(20)30(33)34/h1-17H,18H2