[4-(5-bromanyl-3-cyano-furan-2-yl)phenyl]methyl 3-oxidanylidenehexanoate

Systemtic Name: [4-(5-bromanyl-3-cyano-furan-2-yl)phenyl]methyl 3-oxidanylidenehexanoate Openeye Name: [4-(5-bromo-3-cyano-2-furyl)phenyl]methyl 3-oxohexanoate CAS Name: 3-oxohexanoic acid [4-(5-bromo-3-cyano-2-furanyl)phenyl]methyl ester IUPAC Name: [4-(5-bromo-3-cyanofuran-2-yl)phenyl]methyl 3-oxohexanoate Traditional Name: 3-ketohexanoic acid [4-(5-bromo-3-cyano-2-furyl)benzyl] ester Formula: C18H16BrNO4 MolecularWeight: 390.22794

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)CC(=O)OCC1=CC=C(C=C1)C2=C(C=C(O2)Br)C#N

Isomeric SMILES

CCCC(=O)CC(=O)OCC1=CC=C(C=C1)C2=C(C=C(O2)Br)C#N

InChI

InChI=1S/C18H16BrNO4/c1-2-3-15(21)9-17(22)23-11-12-4-6-13(7-5-12)18-14(10-20)8-16(19)24-18/h4-8H,2-3,9,11H2,1H3