2-phenylbenzenecarbonitrile; prop-2-enoate; benzoate

Systemtic Name: 2-phenylbenzenecarbonitrile; prop-2-enoate; benzoate Openeye Name: 2-phenylbenzonitrile; prop-2-enoate; benzoate CAS Name: 2-phenylbenzonitrile; 2-propenoate; benzoate IUPAC Name: 2-phenylbenzonitrile; prop-2-enoate; benzoate Traditional Name: acrylate; 2-phenylbenzonitrile; benzoate Formula: C23H17NO4-2 MolecularWeight: 371.38538

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)[O-].C1=CC=C(C=C1)C2=CC=CC=C2C#N.C1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

C=CC(=O)[O-].C1=CC=C(C=C1)C2=CC=CC=C2C#N.C1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C13H9N.C7H6O2.C3H4O2/c14-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11;8-7(9)6-4-2-1-3-5-6;1-2-3(4)5/h1-9H;1-5H,(H,8,9);2H,1H2,(H,4,5)/p-2