2-ethyl-6-phenyl-benzenecarbonitrile; prop-2-enoate

Systemtic Name: 2-ethyl-6-phenyl-benzenecarbonitrile; prop-2-enoate Openeye Name: 2-ethyl-6-phenyl-benzonitrile; prop-2-enoate CAS Name: 2-ethyl-6-phenylbenzonitrile; 2-propenoate IUPAC Name: 2-ethyl-6-phenylbenzonitrile; prop-2-enoate Traditional Name: acrylate; 2-ethyl-6-phenyl-benzonitrile Formula: C18H16NO2- MolecularWeight: 278.32514

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1C#N)C2=CC=CC=C2.C=CC(=O)[O-]

Isomeric SMILES

CCC1=CC=CC(=C1C#N)C2=CC=CC=C2.C=CC(=O)[O-]

InChI

InChI=1S/C15H13N.C3H4O2/c1-2-12-9-6-10-14(15(12)11-16)13-7-4-3-5-8-13;1-2-3(4)5/h3-10H,2H2,1H3;2H,1H2,(H,4,5)/p-1