(2E)-2-[(3-methoxycarbonylphenyl)methylidene]-3-oxidanylidene-butanoic acid

Systemtic Name: (2E)-2-[(3-methoxycarbonylphenyl)methylidene]-3-oxidanylidene-butanoic acid Openeye Name: (2E)-2-[(3-methoxycarbonylphenyl)methylene]-3-oxo-butanoic acid CAS Name: (2E)-2-[(3-methoxycarbonylphenyl)methylidene]-3-oxobutanoic acid IUPAC Name: (2E)-2-[(3-methoxycarbonylphenyl)methylidene]-3-oxobutanoic acid Traditional Name: (E)-2-acetyl-3-(3-carbomethoxyphenyl)acrylic acid Formula: C13H12O5 MolecularWeight: 248.23138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12O5/c1-8(14)11(12(15)16)7-9-4-3-5-10(6-9)13(17)18-2/h3-7H,1-2H3,(H,15,16)/b11-7+