1-[(1R)-1-(3-methoxy-4-nitro-phenyl)-1-phenoxy-propyl]benzotriazole

Systemtic Name: 1-[(1R)-1-(3-methoxy-4-nitro-phenyl)-1-phenoxy-propyl]benzotriazole Openeye Name: 1-[(1R)-1-(3-methoxy-4-nitro-phenyl)-1-phenoxy-propyl]benzotriazole CAS Name: 1-[(1R)-1-(3-methoxy-4-nitrophenyl)-1-phenoxypropyl]benzotriazole IUPAC Name: 1-[(1R)-1-(3-methoxy-4-nitrophenyl)-1-phenoxypropyl]benzotriazole Traditional Name: 1-[(1R)-1-(3-methoxy-4-nitro-phenyl)-1-phenoxy-propyl]benzotriazole Formula: C22H20N4O4 MolecularWeight: 404.4186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC(=C(C=C1)[N+](=O)[O-])OC)(N2C3=CC=CC=C3N=N2)OC4=CC=CC=C4

Isomeric SMILES

CC[C@@](C1=CC(=C(C=C1)[N+](=O)[O-])OC)(N2C3=CC=CC=C3N=N2)OC4=CC=CC=C4

InChI

InChI=1S/C22H20N4O4/c1-3-22(30-17-9-5-4-6-10-17,25-19-12-8-7-11-18(19)23-24-25)16-13-14-20(26(27)28)21(15-16)29-2/h4-15H,3H2,1-2H3/t22-/m1/s1