4-cyanobenzoic acid; 4-methylbenzenecarbonitrile

Systemtic Name: 4-cyanobenzoic acid; 4-methylbenzenecarbonitrile Openeye Name: 4-cyanobenzoic acid; 4-methylbenzonitrile CAS Name: 4-cyanobenzoic acid; 4-methylbenzonitrile IUPAC Name: 4-cyanobenzoic acid; 4-methylbenzonitrile Traditional Name: 4-cyanobenzoic acid; 4-methylbenzonitrile Formula: C16H12N2O2 MolecularWeight: 264.27868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H5NO2.C8H7N/c9-5-6-1-3-7(4-2-6)8(10)11;1-7-2-4-8(6-9)5-3-7/h1-4H,(H,10,11);2-5H,1H3