ethyl prop-2-enoate; 2-phenylbenzenecarbonitrile; benzoate

Systemtic Name: ethyl prop-2-enoate; 2-phenylbenzenecarbonitrile; benzoate Openeye Name: ethyl prop-2-enoate; 2-phenylbenzonitrile; benzoate CAS Name: 2-phenylbenzonitrile; 2-propenoic acid ethyl ester; benzoate IUPAC Name: ethyl prop-2-enoate; 2-phenylbenzonitrile; benzoate Traditional Name: acrylic acid ethyl ester; 2-phenylbenzonitrile; benzoate Formula: C25H22NO4- MolecularWeight: 400.44648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9N.C7H6O2.C5H8O2/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;1-3-5(6)7-4-2/h1-9H;1-5H,(H,8,9);3H,1,4H2,2H3/p-1