2-methoxyethyl (2E)-2-[(3-bromanyl-4-ethoxy-5-methoxy-phenyl)methylidene]-3-oxidanylidene-butanoate

Systemtic Name: 2-methoxyethyl (2E)-2-[(3-bromanyl-4-ethoxy-5-methoxy-phenyl)methylidene]-3-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl (2E)-2-[(3-bromo-4-ethoxy-5-methoxy-phenyl)methylene]-3-oxo-butanoate CAS Name: (2E)-2-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-3-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (2E)-2-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-3-oxobutanoate Traditional Name: (E)-2-acetyl-3-(3-bromo-4-ethoxy-5-methoxy-phenyl)acrylic acid 2-methoxyethyl ester Formula: C17H21BrO6 MolecularWeight: 401.24904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C=C(C(=O)C)C(=O)OCCOC)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)/C=C(\C(=O)C)/C(=O)OCCOC)OC

InChI

InChI=1S/C17H21BrO6/c1-5-23-16-14(18)9-12(10-15(16)22-4)8-13(11(2)19)17(20)24-7-6-21-3/h8-10H,5-7H2,1-4H3/b13-8+