2-ethyl-5-propanoyl-benzenecarbonitrile

Systemtic Name: 2-ethyl-5-propanoyl-benzenecarbonitrile Openeye Name: 2-ethyl-5-propanoyl-benzonitrile CAS Name: 2-ethyl-5-(1-oxopropyl)benzonitrile IUPAC Name: 2-ethyl-5-propanoylbenzonitrile Traditional Name: 2-ethyl-5-propionyl-benzonitrile Formula: C12H13NO MolecularWeight: 187.23772

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)CC)C#N

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)CC)C#N

InChI

InChI=1S/C12H13NO/c1-3-9-5-6-10(12(14)4-2)7-11(9)8-13/h5-7H,3-4H2,1-2H3