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

Systemtic Name: 2-[6-(2-chloranylethanoyl)-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl]ethanenitrile Openeye Name: 2-[6-(2-chloroacetyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl]acetonitrile CAS Name: 2-[6-(2-chloro-1-oxoethyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl]acetonitrile IUPAC Name: 2-[6-(2-chloroacetyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl]acetonitrile Traditional Name: 2-[6-(2-chloroacetyl)-3-keto-2,2-dimethyl-1,4-benzoxazin-4-yl]acetonitrile Formula: C14H13ClN2O3 MolecularWeight: 292.71762

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCl)CC#N)C

Isomeric SMILES

CC1(C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCl)CC#N)C

InChI

InChI=1S/C14H13ClN2O3/c1-14(2)13(19)17(6-5-16)10-7-9(11(18)8-15)3-4-12(10)20-14/h3-4,7H,6,8H2,1-2H3