2-bromanyl-6-methoxy-4-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]phenol

Systemtic Name: 2-bromanyl-6-methoxy-4-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]phenol Openeye Name: 2-bromo-6-methoxy-4-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]phenol CAS Name: 2-bromo-6-methoxy-4-[[4-(4-nitrophenyl)-1-piperazinyl]methyl]phenol IUPAC Name: 2-bromo-6-methoxy-4-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]phenol Traditional Name: 2-bromo-6-methoxy-4-[[4-(4-nitrophenyl)piperazino]methyl]phenol Formula: C18H20BrN3O4 MolecularWeight: 422.2731

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])Br)O

InChI

InChI=1S/C18H20BrN3O4/c1-26-17-11-13(10-16(19)18(17)23)12-20-6-8-21(9-7-20)14-2-4-15(5-3-14)22(24)25/h2-5,10-11,23H,6-9,12H2,1H3