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

Systemtic Name: 3-(3-nitrophenyl)-4-oxidanidyl-1-[(4-phenoxyphenyl)methoxy]quinoxalin-4-ium-2-one Openeye Name: 3-(3-nitrophenyl)-4-oxido-1-[(4-phenoxyphenyl)methoxy]quinoxalin-4-ium-2-one CAS Name: 3-(3-nitrophenyl)-4-oxido-1-[(4-phenoxyphenyl)methoxy]-2-quinoxalin-4-iumone IUPAC Name: 3-(3-nitrophenyl)-4-oxido-1-[(4-phenoxyphenyl)methoxy]quinoxalin-4-ium-2-one Traditional Name: 3-(3-nitrophenyl)-4-oxido-1-(4-phenoxybenzyl)oxy-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)CON3C4=CC=CC=C4[N+](=C(C3=O)C5=CC(=CC=C5)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)CON3C4=CC=CC=C4[N+](=C(C3=O)C5=CC(=CC=C5)[N+](=O)[O-])[O-]

InChI

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