(E)-2-methylidene-4-phenyl-but-3-enoate; prop-2-enenitrile

Systemtic Name: (E)-2-methylidene-4-phenyl-but-3-enoate; prop-2-enenitrile Openeye Name: (E)-2-methylene-4-phenyl-but-3-enoate; prop-2-enenitrile CAS Name: (E)-2-methylene-4-phenyl-3-butenoate; 2-propenenitrile IUPAC Name: (E)-2-methylidene-4-phenylbut-3-enoate; prop-2-enenitrile Traditional Name: acrylonitrile; (E)-2-methylene-4-phenyl-but-3-enoate Formula: C14H12NO2- MolecularWeight: 226.25058

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Descriptors Computed from Structure

Canonical SMILES:

C=CC#N.C=C(C=CC1=CC=CC=C1)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C11H10O2.C3H3N/c1-9(11(12)13)7-8-10-5-3-2-4-6-10;1-2-3-4/h2-8H,1H2,(H,12,13);2H,1H2/p-1/b8-7+;