methyl (2E)-2-[(3-ethynylphenyl)methylidene]-3-oxidanylidene-butanoate

Systemtic Name: methyl (2E)-2-[(3-ethynylphenyl)methylidene]-3-oxidanylidene-butanoate Openeye Name: methyl (2E)-2-[(3-ethynylphenyl)methylene]-3-oxo-butanoate CAS Name: (2E)-2-[(3-ethynylphenyl)methylidene]-3-oxobutanoic acid methyl ester IUPAC Name: methyl (2E)-2-[(3-ethynylphenyl)methylidene]-3-oxobutanoate Traditional Name: (E)-2-acetyl-3-(3-ethynylphenyl)acrylic acid methyl ester Formula: C14H12O3 MolecularWeight: 228.24328

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC=CC(=C1)C#C)C(=O)OC

Isomeric SMILES

CC(=O)/C(=C\C1=CC=CC(=C1)C#C)/C(=O)OC

InChI

InChI=1S/C14H12O3/c1-4-11-6-5-7-12(8-11)9-13(10(2)15)14(16)17-3/h1,5-9H,2-3H3/b13-9+