4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-2-nitro-phenol

Systemtic Name: 4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-2-nitro-phenol Openeye Name: 2-nitro-4-[[4-(o-tolyl)piperazin-1-yl]methyl]phenol CAS Name: 4-[[4-(2-methylphenyl)-1-piperazinyl]methyl]-2-nitrophenol IUPAC Name: 4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-2-nitrophenol Traditional Name: 2-nitro-4-[[4-(o-tolyl)piperazino]methyl]phenol Formula: C18H21N3O3 MolecularWeight: 327.37764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)CC3=CC(=C(C=C3)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)CC3=CC(=C(C=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O3/c1-14-4-2-3-5-16(14)20-10-8-19(9-11-20)13-15-6-7-18(22)17(12-15)21(23)24/h2-7,12,22H,8-11,13H2,1H3