3-[(4-bromanyl-3-nitro-phenyl)methylamino]cyclohexan-1-ol

Systemtic Name: 3-[(4-bromanyl-3-nitro-phenyl)methylamino]cyclohexan-1-ol Openeye Name: 3-[(4-bromo-3-nitro-phenyl)methylamino]cyclohexanol CAS Name: 3-[(4-bromo-3-nitrophenyl)methylamino]-1-cyclohexanol IUPAC Name: 3-[(4-bromo-3-nitrophenyl)methylamino]cyclohexan-1-ol Traditional Name: 3-[(4-bromo-3-nitro-benzyl)amino]cyclohexanol Formula: C13H17BrN2O3 MolecularWeight: 329.18968

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)O)NCC2=CC(=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

C1CC(CC(C1)O)NCC2=CC(=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C13H17BrN2O3/c14-12-5-4-9(6-13(12)16(18)19)8-15-10-2-1-3-11(17)7-10/h4-6,10-11,15,17H,1-3,7-8H2