2-methyl-5-propanoyl-benzenecarbonitrile

Systemtic Name: 2-methyl-5-propanoyl-benzenecarbonitrile Openeye Name: 2-methyl-5-propanoyl-benzonitrile CAS Name: 2-methyl-5-(1-oxopropyl)benzonitrile IUPAC Name: 2-methyl-5-propanoylbenzonitrile Traditional Name: 2-methyl-5-propionyl-benzonitrile Formula: C11H11NO MolecularWeight: 173.21114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO/c1-3-11(13)9-5-4-8(2)10(6-9)7-12/h4-6H,3H2,1-2H3