[4-[[2-azanyl-3,5-bis(bromanyl)phenyl]methylamino]cyclohexyl] 4-nitrooxybutanoate

Systemtic Name: [4-[[2-azanyl-3,5-bis(bromanyl)phenyl]methylamino]cyclohexyl] 4-nitrooxybutanoate Openeye Name: [4-[(2-amino-3,5-dibromo-phenyl)methylamino]cyclohexyl] 4-nitrooxybutanoate CAS Name: 4-nitrooxybutanoic acid [4-[(2-amino-3,5-dibromophenyl)methylamino]cyclohexyl] ester IUPAC Name: [4-[(2-amino-3,5-dibromophenyl)methylamino]cyclohexyl] 4-nitrooxybutanoate Traditional Name: 4-nitrooxybutyric acid [4-[(2-amino-3,5-dibromo-benzyl)amino]cyclohexyl] ester Formula: C17H23Br2N3O5 MolecularWeight: 509.18962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NCC2=CC(=CC(=C2N)Br)Br)OC(=O)CCCO[N+](=O)[O-]

Isomeric SMILES

C1CC(CCC1NCC2=CC(=CC(=C2N)Br)Br)OC(=O)CCCO[N+](=O)[O-]

InChI

InChI=1S/C17H23Br2N3O5/c18-12-8-11(17(20)15(19)9-12)10-21-13-3-5-14(6-4-13)27-16(23)2-1-7-26-22(24)25/h8-9,13-14,21H,1-7,10,20H2