ethanoic acid; 2-[2-(5-ethanoyl-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-4-yl)phenoxy]ethanenitrile

Systemtic Name: ethanoic acid; 2-[2-(5-ethanoyl-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-4-yl)phenoxy]ethanenitrile Openeye Name: acetic acid; 2-[2-(5-acetyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)phenoxy]acetonitrile CAS Name: acetic acid; 2-[2-(5-acetyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)phenoxy]acetonitrile IUPAC Name: acetic acid; 2-[2-(5-acetyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)phenoxy]acetonitrile Traditional Name: acetic acid; 2-[2-(5-acetyl-2-keto-6-methyl-3,4-dihydro-1H-pyrimidin-4-yl)phenoxy]acetonitrile Formula: C17H19N3O5 MolecularWeight: 345.34986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1)C2=CC=CC=C2OCC#N)C(=O)C.CC(=O)O

Isomeric SMILES

CC1=C(C(NC(=O)N1)C2=CC=CC=C2OCC#N)C(=O)C.CC(=O)O

InChI

InChI=1S/C15H15N3O3.C2H4O2/c1-9-13(10(2)19)14(18-15(20)17-9)11-5-3-4-6-12(11)21-8-7-16;1-2(3)4/h3-6,14H,8H2,1-2H3,(H2,17,18,20);1H3,(H,3,4)