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

Systemtic Name: 2-[(2R)-6-butanoyl-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl]ethanenitrile Openeye Name: 2-[(2R)-6-butanoyl-2-isopropyl-3-oxo-1,4-benzoxazin-4-yl]acetonitrile CAS Name: 2-[(2R)-3-oxo-6-(1-oxobutyl)-2-propan-2-yl-1,4-benzoxazin-4-yl]acetonitrile IUPAC Name: 2-[(2R)-6-butanoyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]acetonitrile Traditional Name: 2-[(2R)-6-butyryl-2-isopropyl-3-keto-1,4-benzoxazin-4-yl]acetonitrile Formula: C17H20N2O3 MolecularWeight: 300.3523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O3/c1-4-5-14(20)12-6-7-15-13(10-12)19(9-8-18)17(21)16(22-15)11(2)3/h6-7,10-11,16H,4-5,9H2,1-3H3/t16-/m1/s1