(phenylmethyl) (2E)-2-[(3-chlorophenyl)methylidene]-3-oxidanylidene-butanoate

Systemtic Name: (phenylmethyl) (2E)-2-[(3-chlorophenyl)methylidene]-3-oxidanylidene-butanoate Openeye Name: benzyl (2E)-2-[(3-chlorophenyl)methylene]-3-oxo-butanoate CAS Name: (2E)-2-[(3-chlorophenyl)methylidene]-3-oxobutanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2E)-2-[(3-chlorophenyl)methylidene]-3-oxobutanoate Traditional Name: (E)-2-acetyl-3-(3-chlorophenyl)acrylic acid benzyl ester Formula: C18H15ClO3 MolecularWeight: 314.7629

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC(=CC=C1)Cl)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(=O)/C(=C\C1=CC(=CC=C1)Cl)/C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H15ClO3/c1-13(20)17(11-15-8-5-9-16(19)10-15)18(21)22-12-14-6-3-2-4-7-14/h2-11H,12H2,1H3/b17-11+