3-methyl-9-oxidanylidene-4-phenyl-nonanenitrile

Systemtic Name: 3-methyl-9-oxidanylidene-4-phenyl-nonanenitrile Openeye Name: 3-methyl-9-oxo-4-phenyl-nonanenitrile CAS Name: 3-methyl-9-oxo-4-phenylnonanenitrile IUPAC Name: 3-methyl-9-oxo-4-phenylnonanenitrile Traditional Name: 9-keto-3-methyl-4-phenyl-pelargononitrile Formula: C16H21NO MolecularWeight: 243.34404

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC#N)C(CCCCC=O)C1=CC=CC=C1

Isomeric SMILES

CC(CC#N)C(CCCCC=O)C1=CC=CC=C1

InChI

InChI=1S/C16H21NO/c1-14(11-12-17)16(10-6-3-7-13-18)15-8-4-2-5-9-15/h2,4-5,8-9,13-14,16H,3,6-7,10-11H2,1H3