3-isocyano-5-(3-oxidanylidene-2-propanoyl-pentyl)benzenecarbonitrile

Systemtic Name: 3-isocyano-5-(3-oxidanylidene-2-propanoyl-pentyl)benzenecarbonitrile Openeye Name: 3-isocyano-5-(3-oxo-2-propanoyl-pentyl)benzonitrile CAS Name: 3-isocyano-5-[3-oxo-2-(1-oxopropyl)pentyl]benzonitrile IUPAC Name: 3-isocyano-5-(3-oxo-2-propanoylpentyl)benzonitrile Traditional Name: 3-isocyano-5-(3-keto-2-propionyl-pentyl)benzonitrile Formula: C16H16N2O2 MolecularWeight: 268.31044

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(CC1=CC(=CC(=C1)C#N)[N+]#[C-])C(=O)CC

Isomeric SMILES

CCC(=O)C(CC1=CC(=CC(=C1)C#N)[N+]#[C-])C(=O)CC

InChI

InChI=1S/C16H16N2O2/c1-4-15(19)14(16(20)5-2)9-11-6-12(10-17)8-13(7-11)18-3/h6-8,14H,4-5,9H2,1-2H3