methyl 4-fluoranyl-5-isocyanato-2-oxidanyl-benzoate

Systemtic Name: methyl 4-fluoranyl-5-isocyanato-2-oxidanyl-benzoate Openeye Name: methyl 4-fluoro-2-hydroxy-5-isocyanato-benzoate CAS Name: 4-fluoro-2-hydroxy-5-isocyanatobenzoic acid methyl ester IUPAC Name: methyl 4-fluoro-2-hydroxy-5-isocyanatobenzoate Traditional Name: 4-fluoro-2-hydroxy-5-isocyanato-benzoic acid methyl ester Formula: C9H6FNO4 MolecularWeight: 211.146643

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1O)F)N=C=O

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1O)F)N=C=O

InChI

InChI=1S/C9H6FNO4/c1-15-9(14)5-2-7(11-4-12)6(10)3-8(5)13/h2-3,13H,1H3