6-(2-chloranyl-4-nitro-imidazol-1-yl)-3-(5-methylhexyl)-5-oxidanyl-1,3-benzoxazol-2-one

Systemtic Name: 6-(2-chloranyl-4-nitro-imidazol-1-yl)-3-(5-methylhexyl)-5-oxidanyl-1,3-benzoxazol-2-one Openeye Name: 6-(2-chloro-4-nitro-imidazol-1-yl)-5-hydroxy-3-(5-methylhexyl)-1,3-benzoxazol-2-one CAS Name: 6-(2-chloro-4-nitro-1-imidazolyl)-5-hydroxy-3-(5-methylhexyl)-1,3-benzoxazol-2-one IUPAC Name: 6-(2-chloro-4-nitroimidazol-1-yl)-5-hydroxy-3-(5-methylhexyl)-1,3-benzoxazol-2-one Traditional Name: 6-(2-chloro-4-nitro-imidazol-1-yl)-5-hydroxy-3-(5-methylhexyl)-1,3-benzoxazol-2-one Formula: C17H19ClN4O5 MolecularWeight: 394.80956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCN1C2=CC(=C(C=C2OC1=O)N3C=C(N=C3Cl)[N+](=O)[O-])O

Isomeric SMILES

CC(C)CCCCN1C2=CC(=C(C=C2OC1=O)N3C=C(N=C3Cl)[N+](=O)[O-])O

InChI

InChI=1S/C17H19ClN4O5/c1-10(2)5-3-4-6-20-12-7-13(23)11(8-14(12)27-17(20)24)21-9-15(22(25)26)19-16(21)18/h7-10,23H,3-6H2,1-2H3