1-[4-(2,6-dimethylphenyl)piperazin-1-yl]-3-(4-nitrophenoxy)propan-2-ol

Systemtic Name: 1-[4-(2,6-dimethylphenyl)piperazin-1-yl]-3-(4-nitrophenoxy)propan-2-ol Openeye Name: 1-[4-(2,6-dimethylphenyl)piperazin-1-yl]-3-(4-nitrophenoxy)propan-2-ol CAS Name: 1-[4-(2,6-dimethylphenyl)-1-piperazinyl]-3-(4-nitrophenoxy)-2-propanol IUPAC Name: 1-[4-(2,6-dimethylphenyl)piperazin-1-yl]-3-(4-nitrophenoxy)propan-2-ol Traditional Name: 1-[4-(2,6-dimethylphenyl)piperazino]-3-(4-nitrophenoxy)propan-2-ol Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2CCN(CC2)CC(COC3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2CCN(CC2)CC(COC3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C21H27N3O4/c1-16-4-3-5-17(2)21(16)23-12-10-22(11-13-23)14-19(25)15-28-20-8-6-18(7-9-20)24(26)27/h3-9,19,25H,10-15H2,1-2H3