2-(2,2-dimethyl-3-oxidanylidene-6-propanoyl-1,4-benzoxazin-4-yl)ethanenitrile

Systemtic Name: 2-(2,2-dimethyl-3-oxidanylidene-6-propanoyl-1,4-benzoxazin-4-yl)ethanenitrile Openeye Name: 2-(2,2-dimethyl-3-oxo-6-propanoyl-1,4-benzoxazin-4-yl)acetonitrile CAS Name: 2-[2,2-dimethyl-3-oxo-6-(1-oxopropyl)-1,4-benzoxazin-4-yl]acetonitrile IUPAC Name: 2-(2,2-dimethyl-3-oxo-6-propanoyl-1,4-benzoxazin-4-yl)acetonitrile Traditional Name: 2-(3-keto-2,2-dimethyl-6-propionyl-1,4-benzoxazin-4-yl)acetonitrile Formula: C15H16N2O3 MolecularWeight: 272.29914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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