2-(3-fluorophenyl)ethanenitrile; methyl (E)-3-(4-fluorophenyl)prop-2-enoate

Systemtic Name: 2-(3-fluorophenyl)ethanenitrile; methyl (E)-3-(4-fluorophenyl)prop-2-enoate Openeye Name: 2-(3-fluorophenyl)acetonitrile; methyl (E)-3-(4-fluorophenyl)prop-2-enoate CAS Name: 2-(3-fluorophenyl)acetonitrile; (E)-3-(4-fluorophenyl)-2-propenoic acid methyl ester IUPAC Name: 2-(3-fluorophenyl)acetonitrile; methyl (E)-3-(4-fluorophenyl)prop-2-enoate Traditional Name: 2-(3-fluorophenyl)acetonitrile; (E)-3-(4-fluorophenyl)acrylic acid methyl ester Formula: C18H15F2NO2 MolecularWeight: 315.314006

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC1=CC=C(C=C1)F.C1=CC(=CC(=C1)F)CC#N

Isomeric SMILES

COC(=O)/C=C/C1=CC=C(C=C1)F.C1=CC(=CC(=C1)F)CC#N

InChI

InChI=1S/C10H9FO2.C8H6FN/c1-13-10(12)7-4-8-2-5-9(11)6-3-8;9-8-3-1-2-7(6-8)4-5-10/h2-7H,1H3;1-3,6H,4H2/b7-4+;