1-[4-(2-nitrophenyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenoxy)propan-2-ol

Systemtic Name: 1-[4-(2-nitrophenyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenoxy)propan-2-ol Openeye Name: 1-[4-(2-nitrophenyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenoxy)propan-2-ol CAS Name: 1-[4-(2-nitrophenyl)-1-piperazinyl]-3-(3,4,5-trimethoxyphenoxy)-2-propanol IUPAC Name: 1-[4-(2-nitrophenyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenoxy)propan-2-ol Traditional Name: 1-[4-(2-nitrophenyl)piperazino]-3-(3,4,5-trimethoxyphenoxy)propan-2-ol Formula: C22H29N3O7 MolecularWeight: 447.48156

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)OCC(CN2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-])O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)OCC(CN2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-])O

InChI

InChI=1S/C22H29N3O7/c1-29-20-12-17(13-21(30-2)22(20)31-3)32-15-16(26)14-23-8-10-24(11-9-23)18-6-4-5-7-19(18)25(27)28/h4-7,12-13,16,26H,8-11,14-15H2,1-3H3