2-(4-azanyl-3-bromanyl-5-isocyano-phenyl)-2-(cyclobutylamino)ethanol

Systemtic Name: 2-(4-azanyl-3-bromanyl-5-isocyano-phenyl)-2-(cyclobutylamino)ethanol Openeye Name: 2-(4-amino-3-bromo-5-isocyano-phenyl)-2-(cyclobutylamino)ethanol CAS Name: 2-(4-amino-3-bromo-5-isocyanophenyl)-2-(cyclobutylamino)ethanol IUPAC Name: 2-(4-amino-3-bromo-5-isocyanophenyl)-2-(cyclobutylamino)ethanol Traditional Name: 2-(4-amino-3-bromo-5-isocyano-phenyl)-2-(cyclobutylamino)ethanol Formula: C13H16BrN3O MolecularWeight: 310.18964

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=C(C(=CC(=C1)C(CO)NC2CCC2)Br)N

Isomeric SMILES

[C-]#[N+]C1=C(C(=CC(=C1)C(CO)NC2CCC2)Br)N

InChI

InChI=1S/C13H16BrN3O/c1-16-11-6-8(5-10(14)13(11)15)12(7-18)17-9-3-2-4-9/h5-6,9,12,17-18H,2-4,7,15H2