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

Systemtic Name: 3-(3-bromophenyl)-1-[(2-nitrophenyl)methoxy]-4-oxidanidyl-quinoxalin-4-ium-2-one Openeye Name: 3-(3-bromophenyl)-1-[(2-nitrophenyl)methoxy]-4-oxido-quinoxalin-4-ium-2-one CAS Name: 3-(3-bromophenyl)-1-[(2-nitrophenyl)methoxy]-4-oxido-2-quinoxalin-4-iumone IUPAC Name: 3-(3-bromophenyl)-1-[(2-nitrophenyl)methoxy]-4-oxidoquinoxalin-4-ium-2-one Traditional Name: 3-(3-bromophenyl)-1-(2-nitrobenzyl)oxy-4-oxido-quinoxalin-4-ium-2-one Formula: C21H14BrN3O5 MolecularWeight: 468.25696

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CON2C3=CC=CC=C3[N+](=C(C2=O)C4=CC(=CC=C4)Br)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)CON2C3=CC=CC=C3[N+](=C(C2=O)C4=CC(=CC=C4)Br)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H14BrN3O5/c22-16-8-5-7-14(12-16)20-21(26)24(19-11-4-3-10-18(19)23(20)27)30-13-15-6-1-2-9-17(15)25(28)29/h1-12H,13H2