2-methyl-4-[3-[3-nitro-4-(oxan-2-ylmethoxy)phenyl]-1H-1,2,4-triazol-5-yl]pyridine

Systemtic Name: 2-methyl-4-[3-[3-nitro-4-(oxan-2-ylmethoxy)phenyl]-1H-1,2,4-triazol-5-yl]pyridine Openeye Name: 2-methyl-4-[3-[3-nitro-4-(tetrahydropyran-2-ylmethoxy)phenyl]-1H-1,2,4-triazol-5-yl]pyridine CAS Name: 2-methyl-4-[3-[3-nitro-4-(2-oxanylmethoxy)phenyl]-1H-1,2,4-triazol-5-yl]pyridine IUPAC Name: 2-methyl-4-[3-[3-nitro-4-(oxan-2-ylmethoxy)phenyl]-1H-1,2,4-triazol-5-yl]pyridine Traditional Name: 2-methyl-4-[3-[3-nitro-4-(tetrahydropyran-2-ylmethoxy)phenyl]-1H-1,2,4-triazol-5-yl]pyridine Formula: C20H21N5O4 MolecularWeight: 395.41184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=C1)C2=NC(=NN2)C3=CC(=C(C=C3)OCC4CCCCO4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=CC(=C1)C2=NC(=NN2)C3=CC(=C(C=C3)OCC4CCCCO4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O4/c1-13-10-15(7-8-21-13)20-22-19(23-24-20)14-5-6-18(17(11-14)25(26)27)29-12-16-4-2-3-9-28-16/h5-8,10-11,16H,2-4,9,12H2,1H3,(H,22,23,24)