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

Systemtic Name: 2-[(2R)-2-methyl-3-oxidanylidene-6-propanoyl-1,4-benzoxazin-4-yl]ethanenitrile Openeye Name: 2-[(2R)-2-methyl-3-oxo-6-propanoyl-1,4-benzoxazin-4-yl]acetonitrile CAS Name: 2-[(2R)-2-methyl-3-oxo-6-(1-oxopropyl)-1,4-benzoxazin-4-yl]acetonitrile IUPAC Name: 2-[(2R)-2-methyl-3-oxo-6-propanoyl-1,4-benzoxazin-4-yl]acetonitrile Traditional Name: 2-[(2R)-3-keto-2-methyl-6-propionyl-1,4-benzoxazin-4-yl]acetonitrile Formula: C14H14N2O3 MolecularWeight: 258.27256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O3/c1-3-12(17)10-4-5-13-11(8-10)16(7-6-15)14(18)9(2)19-13/h4-5,8-9H,3,7H2,1-2H3/t9-/m1/s1