methyl 3-bromanyl-4-(cyanomethyl)benzoate

Systemtic Name: methyl 3-bromanyl-4-(cyanomethyl)benzoate Openeye Name: methyl 3-bromo-4-(cyanomethyl)benzoate CAS Name: 3-bromo-4-(cyanomethyl)benzoic acid methyl ester IUPAC Name: methyl 3-bromo-4-(cyanomethyl)benzoate Traditional Name: 3-bromo-4-(cyanomethyl)benzoic acid methyl ester Formula: C10H8BrNO2 MolecularWeight: 254.08002

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)CC#N)Br

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)CC#N)Br

InChI

InChI=1S/C10H8BrNO2/c1-14-10(13)8-3-2-7(4-5-12)9(11)6-8/h2-3,6H,4H2,1H3