1-cyanoethyl 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: 1-cyanoethyl 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate Openeye Name: 1-cyanoethyl 4-(5-bromo-2-methoxy-phenyl)-4-oxo-butanoate CAS Name: 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoate Traditional Name: 4-(5-bromo-2-methoxy-phenyl)-4-keto-butyric acid 1-cyanoethyl ester Formula: C14H14BrNO4 MolecularWeight: 340.16926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)CCC(=O)C1=C(C=CC(=C1)Br)OC

Isomeric SMILES

CC(C#N)OC(=O)CCC(=O)C1=C(C=CC(=C1)Br)OC

InChI

InChI=1S/C14H14BrNO4/c1-9(8-16)20-14(18)6-4-12(17)11-7-10(15)3-5-13(11)19-2/h3,5,7,9H,4,6H2,1-2H3