2-[(2R)-6-butanoyl-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]ethanenitrile

Systemtic Name: 2-[(2R)-6-butanoyl-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]ethanenitrile Openeye Name: 2-[(2R)-6-butanoyl-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetonitrile CAS Name: 2-[(2R)-2-methyl-3-oxo-6-(1-oxobutyl)-1,4-benzoxazin-4-yl]acetonitrile IUPAC Name: 2-[(2R)-6-butanoyl-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetonitrile Traditional Name: 2-[(2R)-6-butyryl-3-keto-2-methyl-1,4-benzoxazin-4-yl]acetonitrile Formula: C15H16N2O3 MolecularWeight: 272.29914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC2=C(C=C1)OC(C(=O)N2CC#N)C

Isomeric SMILES

CCCC(=O)C1=CC2=C(C=C1)O[C@@H](C(=O)N2CC#N)C

InChI

InChI=1S/C15H16N2O3/c1-3-4-13(18)11-5-6-14-12(9-11)17(8-7-16)15(19)10(2)20-14/h5-6,9-10H,3-4,8H2,1-2H3/t10-/m1/s1