5-methyl-2-[4-(4-methylpiperidin-1-yl)-3-nitro-phenyl]-1,3-benzoxazole

Systemtic Name: 5-methyl-2-[4-(4-methylpiperidin-1-yl)-3-nitro-phenyl]-1,3-benzoxazole Openeye Name: 5-methyl-2-[4-(4-methyl-1-piperidyl)-3-nitro-phenyl]-1,3-benzoxazole CAS Name: 5-methyl-2-[4-(4-methyl-1-piperidinyl)-3-nitrophenyl]-1,3-benzoxazole IUPAC Name: 5-methyl-2-[4-(4-methylpiperidin-1-yl)-3-nitrophenyl]-1,3-benzoxazole Traditional Name: 5-methyl-2-[4-(4-methylpiperidino)-3-nitro-phenyl]-1,3-benzoxazole Formula: C20H21N3O3 MolecularWeight: 351.39904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C3=NC4=C(O3)C=CC(=C4)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C3=NC4=C(O3)C=CC(=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O3/c1-13-7-9-22(10-8-13)17-5-4-15(12-18(17)23(24)25)20-21-16-11-14(2)3-6-19(16)26-20/h3-6,11-13H,7-10H2,1-2H3