3-[3-(6-chloranyl-3-methyl-2-oxidanylidene-4H-1,3-benzoxazin-4-yl)-2-oxidanyl-cyclohexyl]propanenitrile

Systemtic Name: 3-[3-(6-chloranyl-3-methyl-2-oxidanylidene-4H-1,3-benzoxazin-4-yl)-2-oxidanyl-cyclohexyl]propanenitrile Openeye Name: 3-[3-(6-chloro-3-methyl-2-oxo-4H-1,3-benzoxazin-4-yl)-2-hydroxy-cyclohexyl]propanenitrile CAS Name: 3-[3-(6-chloro-3-methyl-2-oxo-4H-1,3-benzoxazin-4-yl)-2-hydroxycyclohexyl]propanenitrile IUPAC Name: 3-[3-(6-chloro-3-methyl-2-oxo-4H-1,3-benzoxazin-4-yl)-2-hydroxycyclohexyl]propanenitrile Traditional Name: 3-[3-(6-chloro-2-keto-3-methyl-4H-1,3-benzoxazin-4-yl)-2-hydroxy-cyclohexyl]propionitrile Formula: C18H21ClN2O3 MolecularWeight: 348.82394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(C2=C(C=CC(=C2)Cl)OC1=O)C3CCCC(C3O)CCC#N

Isomeric SMILES

CN1C(C2=C(C=CC(=C2)Cl)OC1=O)C3CCCC(C3O)CCC#N

InChI

InChI=1S/C18H21ClN2O3/c1-21-16(13-6-2-4-11(17(13)22)5-3-9-20)14-10-12(19)7-8-15(14)24-18(21)23/h7-8,10-11,13,16-17,22H,2-6H2,1H3