5-[2-azanyl-3-[(5-chloranyl-1,2-benzoxazol-3-yl)oxy]propyl]-1,2-oxazol-3-one

Systemtic Name: 5-[2-azanyl-3-[(5-chloranyl-1,2-benzoxazol-3-yl)oxy]propyl]-1,2-oxazol-3-one Openeye Name: 5-[2-amino-3-[(5-chloro-1,2-benzoxazol-3-yl)oxy]propyl]isoxazol-3-one CAS Name: 5-[2-amino-3-[(5-chloro-1,2-benzoxazol-3-yl)oxy]propyl]-3-isoxazolone IUPAC Name: 5-[2-amino-3-[(5-chloro-1,2-benzoxazol-3-yl)oxy]propyl]-1,2-oxazol-3-one Traditional Name: 5-[2-amino-3-(5-chloroindoxazen-3-yl)oxy-propyl]-4-isoxazolin-3-one Formula: C13H12ClN3O4 MolecularWeight: 309.70508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)C(=NO2)OCC(CC3=CC(=O)NO3)N

Isomeric SMILES

C1=CC2=C(C=C1Cl)C(=NO2)OCC(CC3=CC(=O)NO3)N

InChI

InChI=1S/C13H12ClN3O4/c14-7-1-2-11-10(3-7)13(17-21-11)19-6-8(15)4-9-5-12(18)16-20-9/h1-3,5,8H,4,6,15H2,(H,16,18)