4-(2-ethanoyl-3-oxidanylidene-but-1-enyl)benzenecarbonitrile; 4-methanoylbenzenecarbonitrile

Systemtic Name: 4-(2-ethanoyl-3-oxidanylidene-but-1-enyl)benzenecarbonitrile; 4-methanoylbenzenecarbonitrile Openeye Name: 4-(2-acetyl-3-oxo-but-1-enyl)benzonitrile; 4-formylbenzonitrile CAS Name: 4-(2-acetyl-3-oxobut-1-enyl)benzonitrile; 4-formylbenzonitrile IUPAC Name: 4-(2-acetyl-3-oxobut-1-enyl)benzonitrile; 4-formylbenzonitrile Traditional Name: 4-(2-acetyl-3-keto-but-1-enyl)benzonitrile; 4-formylbenzonitrile Formula: C21H16N2O3 MolecularWeight: 344.36334

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC=C(C=C1)C#N)C(=O)C.C1=CC(=CC=C1C=O)C#N

Isomeric SMILES

CC(=O)C(=CC1=CC=C(C=C1)C#N)C(=O)C.C1=CC(=CC=C1C=O)C#N

InChI

InChI=1S/C13H11NO2.C8H5NO/c1-9(15)13(10(2)16)7-11-3-5-12(8-14)6-4-11;9-5-7-1-3-8(6-10)4-2-7/h3-7H,1-2H3;1-4,6H