methyl 2-chloranyl-4-methoxy-3-[(E)-3-oxidanylidenebut-1-enyl]benzoate

Systemtic Name: methyl 2-chloranyl-4-methoxy-3-[(E)-3-oxidanylidenebut-1-enyl]benzoate Openeye Name: methyl 2-chloro-4-methoxy-3-[(E)-3-oxobut-1-enyl]benzoate CAS Name: 2-chloro-4-methoxy-3-[(E)-3-oxobut-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 2-chloro-4-methoxy-3-[(E)-3-oxobut-1-enyl]benzoate Traditional Name: 2-chloro-3-[(E)-3-ketobut-1-enyl]-4-methoxy-benzoic acid methyl ester Formula: C13H13ClO4 MolecularWeight: 268.69292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)/C=C/C1=C(C=CC(=C1Cl)C(=O)OC)OC

InChI

InChI=1S/C13H13ClO4/c1-8(15)4-5-9-11(17-2)7-6-10(12(9)14)13(16)18-3/h4-7H,1-3H3/b5-4+