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

Systemtic Name: 2-(4-azanyl-3-bromanyl-5-isocyano-phenyl)-2-(butan-2-ylamino)ethanol Openeye Name: 2-(4-amino-3-bromo-5-isocyano-phenyl)-2-(sec-butylamino)ethanol CAS Name: 2-(4-amino-3-bromo-5-isocyanophenyl)-2-(butan-2-ylamino)ethanol IUPAC Name: 2-(4-amino-3-bromo-5-isocyanophenyl)-2-(butan-2-ylamino)ethanol Traditional Name: 2-(4-amino-3-bromo-5-isocyano-phenyl)-2-(sec-butylamino)ethanol Formula: C13H18BrN3O MolecularWeight: 312.20552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18BrN3O/c1-4-8(2)17-12(7-18)9-5-10(14)13(15)11(6-9)16-3/h5-6,8,12,17-18H,4,7,15H2,1-2H3