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

Systemtic Name: 2-[(2R)-6-(2-chloranylethanoyl)-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl]ethanenitrile Openeye Name: 2-[(2R)-6-(2-chloroacetyl)-2-isopropyl-3-oxo-1,4-benzoxazin-4-yl]acetonitrile CAS Name: 2-[(2R)-6-(2-chloro-1-oxoethyl)-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]acetonitrile IUPAC Name: 2-[(2R)-6-(2-chloroacetyl)-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]acetonitrile Traditional Name: 2-[(2R)-6-(2-chloroacetyl)-2-isopropyl-3-keto-1,4-benzoxazin-4-yl]acetonitrile Formula: C15H15ClN2O3 MolecularWeight: 306.7442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCl)CC#N

Isomeric SMILES

CC(C)[C@@H]1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCl)CC#N

InChI

InChI=1S/C15H15ClN2O3/c1-9(2)14-15(20)18(6-5-17)11-7-10(12(19)8-16)3-4-13(11)21-14/h3-4,7,9,14H,6,8H2,1-2H3/t14-/m1/s1