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

Systemtic Name: 2-[(2R)-3-oxidanylidene-6-propanoyl-2-propan-2-yl-1,4-benzoxazin-4-yl]ethanenitrile Openeye Name: 2-[(2R)-2-isopropyl-3-oxo-6-propanoyl-1,4-benzoxazin-4-yl]acetonitrile CAS Name: 2-[(2R)-3-oxo-6-(1-oxopropyl)-2-propan-2-yl-1,4-benzoxazin-4-yl]acetonitrile IUPAC Name: 2-[(2R)-3-oxo-6-propanoyl-2-propan-2-yl-1,4-benzoxazin-4-yl]acetonitrile Traditional Name: 2-[(2R)-2-isopropyl-3-keto-6-propionyl-1,4-benzoxazin-4-yl]acetonitrile Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O3/c1-4-13(19)11-5-6-14-12(9-11)18(8-7-17)16(20)15(21-14)10(2)3/h5-6,9-10,15H,4,8H2,1-3H3/t15-/m1/s1