5-tert-butyl-3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]benzene-1,2-diol

Systemtic Name: 5-tert-butyl-3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]benzene-1,2-diol Openeye Name: 5-tert-butyl-3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]benzene-1,2-diol CAS Name: 5-tert-butyl-3-[[4-(4-nitrophenyl)-1-piperazinyl]methyl]benzene-1,2-diol IUPAC Name: 5-tert-butyl-3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]benzene-1,2-diol Traditional Name: 5-tert-butyl-3-[[4-(4-nitrophenyl)piperazino]methyl]pyrocatechol Formula: C21H27N3O4 MolecularWeight: 385.45678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)O)O)CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)O)O)CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H27N3O4/c1-21(2,3)16-12-15(20(26)19(25)13-16)14-22-8-10-23(11-9-22)17-4-6-18(7-5-17)24(27)28/h4-7,12-13,25-26H,8-11,14H2,1-3H3