ethyl 4-[5-[(E)-3-(4-bromophenyl)-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoate

Systemtic Name: ethyl 4-[5-[(E)-3-(4-bromophenyl)-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoate Openeye Name: ethyl 4-[5-[(E)-3-(4-bromophenyl)-3-oxo-prop-1-enyl]-2-furyl]benzoate CAS Name: 4-[5-[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]-2-furanyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[5-[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(E)-3-(4-bromophenyl)-3-keto-prop-1-enyl]-2-furyl]benzoic acid ethyl ester Formula: C22H17BrO4 MolecularWeight: 425.27198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=CC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)/C=C/C(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H17BrO4/c1-2-26-22(25)17-5-3-16(4-6-17)21-14-12-19(27-21)11-13-20(24)15-7-9-18(23)10-8-15/h3-14H,2H2,1H3/b13-11+