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

Systemtic Name: 1-[(4-tert-butylphenyl)methoxy]-3-(3-nitrophenyl)-4-oxidanidyl-quinoxalin-4-ium-2-one Openeye Name: 1-[(4-tert-butylphenyl)methoxy]-3-(3-nitrophenyl)-4-oxido-quinoxalin-4-ium-2-one CAS Name: 1-[(4-tert-butylphenyl)methoxy]-3-(3-nitrophenyl)-4-oxido-2-quinoxalin-4-iumone IUPAC Name: 1-[(4-tert-butylphenyl)methoxy]-3-(3-nitrophenyl)-4-oxidoquinoxalin-4-ium-2-one Traditional Name: 1-(4-tert-butylbenzyl)oxy-3-(3-nitrophenyl)-4-oxido-quinoxalin-4-ium-2-one Formula: C25H23N3O5 MolecularWeight: 445.46722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23N3O5/c1-25(2,3)19-13-11-17(12-14-19)16-33-27-22-10-5-4-9-21(22)26(30)23(24(27)29)18-7-6-8-20(15-18)28(31)32/h4-15H,16H2,1-3H3