methyl 5-bromanyl-2-isocyano-benzoate

Systemtic Name: methyl 5-bromanyl-2-isocyano-benzoate Openeye Name: methyl 5-bromo-2-isocyano-benzoate CAS Name: 5-bromo-2-isocyanobenzoic acid methyl ester IUPAC Name: methyl 5-bromo-2-isocyanobenzoate Traditional Name: 5-bromo-2-isocyano-benzoic acid methyl ester Formula: C9H6BrNO2 MolecularWeight: 240.05344

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)Br)[N+]#[C-]

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)Br)[N+]#[C-]

InChI

InChI=1S/C9H6BrNO2/c1-11-8-4-3-6(10)5-7(8)9(12)13-2/h3-5H,2H3