2,6-dimethoxy-4-[[4-[(2-nitrophenyl)methyl]piperazin-1-yl]methyl]phenol

Systemtic Name: 2,6-dimethoxy-4-[[4-[(2-nitrophenyl)methyl]piperazin-1-yl]methyl]phenol Openeye Name: 2,6-dimethoxy-4-[[4-[(2-nitrophenyl)methyl]piperazin-1-yl]methyl]phenol CAS Name: 2,6-dimethoxy-4-[[4-[(2-nitrophenyl)methyl]-1-piperazinyl]methyl]phenol IUPAC Name: 2,6-dimethoxy-4-[[4-[(2-nitrophenyl)methyl]piperazin-1-yl]methyl]phenol Traditional Name: 2,6-dimethoxy-4-[[4-(2-nitrobenzyl)piperazino]methyl]phenol Formula: C20H25N3O5 MolecularWeight: 387.4296

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)CN2CCN(CC2)CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)CN2CCN(CC2)CC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O5/c1-27-18-11-15(12-19(28-2)20(18)24)13-21-7-9-22(10-8-21)14-16-5-3-4-6-17(16)23(25)26/h3-6,11-12,24H,7-10,13-14H2,1-2H3