2-[4-[2-(benzotriazol-2-yl)-4-methyl-phenoxy]-3-nitro-phenyl]-5-phenyl-1,3,4-oxadiazole

Systemtic Name: 2-[4-[2-(benzotriazol-2-yl)-4-methyl-phenoxy]-3-nitro-phenyl]-5-phenyl-1,3,4-oxadiazole Openeye Name: 2-[4-[2-(benzotriazol-2-yl)-4-methyl-phenoxy]-3-nitro-phenyl]-5-phenyl-1,3,4-oxadiazole CAS Name: 2-[4-[2-(2-benzotriazolyl)-4-methylphenoxy]-3-nitrophenyl]-5-phenyl-1,3,4-oxadiazole IUPAC Name: 2-[4-[2-(benzotriazol-2-yl)-4-methylphenoxy]-3-nitrophenyl]-5-phenyl-1,3,4-oxadiazole Traditional Name: 2-[4-[2-(benzotriazol-2-yl)-4-methyl-phenoxy]-3-nitro-phenyl]-5-phenyl-1,3,4-oxadiazole Formula: C27H18N6O4 MolecularWeight: 490.46962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC2=C(C=C(C=C2)C3=NN=C(O3)C4=CC=CC=C4)[N+](=O)[O-])N5N=C6C=CC=CC6=N5

Isomeric SMILES

CC1=CC(=C(C=C1)OC2=C(C=C(C=C2)C3=NN=C(O3)C4=CC=CC=C4)[N+](=O)[O-])N5N=C6C=CC=CC6=N5

InChI

InChI=1S/C27H18N6O4/c1-17-11-13-24(22(15-17)32-30-20-9-5-6-10-21(20)31-32)36-25-14-12-19(16-23(25)33(34)35)27-29-28-26(37-27)18-7-3-2-4-8-18/h2-16H,1H3