methyl 6-chloranyl-3-iodanyl-2-isocyanato-benzoate

Systemtic Name: methyl 6-chloranyl-3-iodanyl-2-isocyanato-benzoate Openeye Name: methyl 6-chloro-3-iodo-2-isocyanato-benzoate CAS Name: 6-chloro-3-iodo-2-isocyanatobenzoic acid methyl ester IUPAC Name: methyl 6-chloro-3-iodo-2-isocyanatobenzoate Traditional Name: 6-chloro-3-iodo-2-isocyanato-benzoic acid methyl ester Formula: C9H5ClINO3 MolecularWeight: 337.49837

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1N=C=O)I)Cl

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1N=C=O)I)Cl

InChI

InChI=1S/C9H5ClINO3/c1-15-9(14)7-5(10)2-3-6(11)8(7)12-4-13/h2-3H,1H3