2-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)-3-nitro-phenyl]quinoxaline

Systemtic Name: 2-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)-3-nitro-phenyl]quinoxaline Openeye Name: 2-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)-3-nitro-phenyl]quinoxaline CAS Name: 2-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)-3-nitrophenyl]quinoxaline IUPAC Name: 2-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)-3-nitrophenyl]quinoxaline Traditional Name: 2-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)-3-nitro-phenyl]quinoxaline Formula: C28H18N6O2 MolecularWeight: 470.48152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2C3=C(C=C(C=C3)C4=NC5=CC=CC=C5N=C4)[N+](=O)[O-])C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2C3=C(C=C(C=C3)C4=NC5=CC=CC=C5N=C4)[N+](=O)[O-])C6=CC=CC=C6

InChI

InChI=1S/C28H18N6O2/c35-34(36)26-17-21(24-18-29-22-13-7-8-14-23(22)30-24)15-16-25(26)33-27(19-9-3-1-4-10-19)31-32-28(33)20-11-5-2-6-12-20/h1-18H