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

Systemtic Name: 2-[(2R)-6-butanoyl-3-oxidanylidene-2-phenyl-1,4-benzoxazin-4-yl]ethanenitrile Openeye Name: 2-[(2R)-6-butanoyl-3-oxo-2-phenyl-1,4-benzoxazin-4-yl]acetonitrile CAS Name: 2-[(2R)-3-oxo-6-(1-oxobutyl)-2-phenyl-1,4-benzoxazin-4-yl]acetonitrile IUPAC Name: 2-[(2R)-6-butanoyl-3-oxo-2-phenyl-1,4-benzoxazin-4-yl]acetonitrile Traditional Name: 2-[(2R)-6-butyryl-3-keto-2-phenyl-1,4-benzoxazin-4-yl]acetonitrile Formula: C20H18N2O3 MolecularWeight: 334.36852

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC2=C(C=C1)OC(C(=O)N2CC#N)C3=CC=CC=C3

Isomeric SMILES

CCCC(=O)C1=CC2=C(C=C1)O[C@@H](C(=O)N2CC#N)C3=CC=CC=C3

InChI

InChI=1S/C20H18N2O3/c1-2-6-17(23)15-9-10-18-16(13-15)22(12-11-21)20(24)19(25-18)14-7-4-3-5-8-14/h3-5,7-10,13,19H,2,6,12H2,1H3/t19-/m1/s1