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

Systemtic Name: methyl (2E)-2-[(3-chloranyl-2-methyl-phenyl)methylidene]-3-oxidanylidene-butanoate Openeye Name: methyl (2E)-2-[(3-chloro-2-methyl-phenyl)methylene]-3-oxo-butanoate CAS Name: (2E)-2-[(3-chloro-2-methylphenyl)methylidene]-3-oxobutanoic acid methyl ester IUPAC Name: methyl (2E)-2-[(3-chloro-2-methylphenyl)methylidene]-3-oxobutanoate Traditional Name: (E)-2-acetyl-3-(3-chloro-2-methyl-phenyl)acrylic acid methyl ester Formula: C13H13ClO3 MolecularWeight: 252.69352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)C=C(C(=O)C)C(=O)OC

Isomeric SMILES

CC1=C(C=CC=C1Cl)/C=C(\C(=O)C)/C(=O)OC

InChI

InChI=1S/C13H13ClO3/c1-8-10(5-4-6-12(8)14)7-11(9(2)15)13(16)17-3/h4-7H,1-3H3/b11-7+