N-butyl-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-nitro-aniline

Systemtic Name: N-butyl-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-nitro-aniline Openeye Name: N-butyl-2-nitro-4-[3-(o-tolyl)-1,2,4-oxadiazol-5-yl]aniline CAS Name: N-butyl-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-nitroaniline IUPAC Name: N-butyl-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-nitroaniline Traditional Name: butyl-[2-nitro-4-[3-(o-tolyl)-1,2,4-oxadiazol-5-yl]phenyl]amine Formula: C19H20N4O3 MolecularWeight: 352.3871

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=C(C=C1)C2=NC(=NO2)C3=CC=CC=C3C)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=C(C=C(C=C1)C2=NC(=NO2)C3=CC=CC=C3C)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O3/c1-3-4-11-20-16-10-9-14(12-17(16)23(24)25)19-21-18(22-26-19)15-8-6-5-7-13(15)2/h5-10,12,20H,3-4,11H2,1-2H3