1-[4-(5-methyl-2-nitro-phenoxy)butyl]-1,2,4-triazole

Systemtic Name: 1-[4-(5-methyl-2-nitro-phenoxy)butyl]-1,2,4-triazole Openeye Name: 1-[4-(5-methyl-2-nitro-phenoxy)butyl]-1,2,4-triazole CAS Name: 1-[4-(5-methyl-2-nitrophenoxy)butyl]-1,2,4-triazole IUPAC Name: 1-[4-(5-methyl-2-nitrophenoxy)butyl]-1,2,4-triazole Traditional Name: 1-[4-(5-methyl-2-nitro-phenoxy)butyl]-1,2,4-triazole Formula: C13H16N4O3 MolecularWeight: 276.29114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])OCCCCN2C=NC=N2

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])OCCCCN2C=NC=N2

InChI

InChI=1S/C13H16N4O3/c1-11-4-5-12(17(18)19)13(8-11)20-7-3-2-6-16-10-14-9-15-16/h4-5,8-10H,2-3,6-7H2,1H3