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

Systemtic Name: 3-(4-iodophenyl)-1-[(4-nitrophenyl)methoxy]-4-oxidanidyl-quinoxalin-4-ium-2-one Openeye Name: 3-(4-iodophenyl)-1-[(4-nitrophenyl)methoxy]-4-oxido-quinoxalin-4-ium-2-one CAS Name: 3-(4-iodophenyl)-1-[(4-nitrophenyl)methoxy]-4-oxido-2-quinoxalin-4-iumone IUPAC Name: 3-(4-iodophenyl)-1-[(4-nitrophenyl)methoxy]-4-oxidoquinoxalin-4-ium-2-one Traditional Name: 3-(4-iodophenyl)-1-(4-nitrobenzyl)oxy-4-oxido-quinoxalin-4-ium-2-one Formula: C21H14IN3O5 MolecularWeight: 515.25743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=O)C(=[N+]2[O-])C3=CC=C(C=C3)I)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=O)C(=[N+]2[O-])C3=CC=C(C=C3)I)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H14IN3O5/c22-16-9-7-15(8-10-16)20-21(26)24(19-4-2-1-3-18(19)23(20)27)30-13-14-5-11-17(12-6-14)25(28)29/h1-12H,13H2