methyl (2E)-4-chloranyl-2-(phenylmethylidene)butanoate

Systemtic Name: methyl (2E)-4-chloranyl-2-(phenylmethylidene)butanoate Openeye Name: methyl (2E)-2-benzylidene-4-chloro-butanoate CAS Name: (2E)-4-chloro-2-(phenylmethylene)butanoic acid methyl ester IUPAC Name: methyl (2E)-2-benzylidene-4-chlorobutanoate Traditional Name: (E)-2-(2-chloroethyl)-3-phenyl-acrylic acid methyl ester Formula: C12H13ClO2 MolecularWeight: 224.68342

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC1=CC=CC=C1)CCCl

Isomeric SMILES

COC(=O)/C(=C/C1=CC=CC=C1)/CCCl

InChI

InChI=1S/C12H13ClO2/c1-15-12(14)11(7-8-13)9-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3/b11-9+