methyl 3,5-bis(chloranyl)-4-isocyanato-benzoate

Systemtic Name: methyl 3,5-bis(chloranyl)-4-isocyanato-benzoate Openeye Name: methyl 3,5-dichloro-4-isocyanato-benzoate CAS Name: 3,5-dichloro-4-isocyanatobenzoic acid methyl ester IUPAC Name: methyl 3,5-dichloro-4-isocyanatobenzoate Traditional Name: 3,5-dichloro-4-isocyanato-benzoic acid methyl ester Formula: C9H5Cl2NO3 MolecularWeight: 246.0469

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C(=C1)Cl)N=C=O)Cl

Isomeric SMILES

COC(=O)C1=CC(=C(C(=C1)Cl)N=C=O)Cl

InChI

InChI=1S/C9H5Cl2NO3/c1-15-9(14)5-2-6(10)8(12-4-13)7(11)3-5/h2-3H,1H3