2-[3-[[4-(2-oxidanyl-3-phenoxy-propyl)piperazin-1-yl]methyl]phenoxy]ethyl nitrate

Systemtic Name: 2-[3-[[4-(2-oxidanyl-3-phenoxy-propyl)piperazin-1-yl]methyl]phenoxy]ethyl nitrate Openeye Name: 2-[3-[[4-(2-hydroxy-3-phenoxy-propyl)piperazin-1-yl]methyl]phenoxy]ethyl nitrate CAS Name: nitric acid 2-[3-[[4-(2-hydroxy-3-phenoxypropyl)-1-piperazinyl]methyl]phenoxy]ethyl ester IUPAC Name: 2-[3-[[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]methyl]phenoxy]ethyl nitrate Traditional Name: nitric acid 2-[3-[[4-(2-hydroxy-3-phenoxy-propyl)piperazino]methyl]phenoxy]ethyl ester Formula: C22H29N3O6 MolecularWeight: 431.48216

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)OCCO[N+](=O)[O-])CC(COC3=CC=CC=C3)O

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)OCCO[N+](=O)[O-])CC(COC3=CC=CC=C3)O

InChI

InChI=1S/C22H29N3O6/c26-20(18-30-21-6-2-1-3-7-21)17-24-11-9-23(10-12-24)16-19-5-4-8-22(15-19)29-13-14-31-25(27)28/h1-8,15,20,26H,9-14,16-18H2