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5-(3-oxidanylidene-2-propanoyl-pentyl)benzene-1,3-dicarbonitrile

5-(3-oxidanylidene-2-propanoyl-pentyl)benzene-1,3-dicarbonitrile

Systemtic Name:5-(3-oxidanylidene-2-propanoyl-pentyl)benzene-1,3-dicarbonitrile
Openeye Name:5-(3-oxo-2-propanoyl-pentyl)benzene-1,3-dicarbonitrile
CAS Name:5-[3-oxo-2-(1-oxopropyl)pentyl]benzene-1,3-dicarbonitrile
IUPAC Name:5-(3-oxo-2-propanoylpentyl)benzene-1,3-dicarbonitrile
Traditional Name:5-(3-keto-2-propionyl-pentyl)isophthalonitrile
Formula: C16H16N2O2
MolecularWeight: 268.31044
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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(CC1=CC(=CC(=C1)C#N)C#N)C(=O)CC


Isomeric SMILES

CCC(=O)C(CC1=CC(=CC(=C1)C#N)C#N)C(=O)CC


InChI

InChI=1S/C16H16N2O2/c1-3-15(19)14(16(20)4-2)8-11-5-12(9-17)7-13(6-11)10-18/h5-7,14H,3-4,8H2,1-2H3


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