methyl 4-chloranyl-2-isocyanato-benzoate

Systemtic Name: methyl 4-chloranyl-2-isocyanato-benzoate Openeye Name: methyl 4-chloro-2-isocyanato-benzoate CAS Name: 4-chloro-2-isocyanatobenzoic acid methyl ester IUPAC Name: methyl 4-chloro-2-isocyanatobenzoate Traditional Name: 4-chloro-2-isocyanato-benzoic acid methyl ester Formula: C9H6ClNO3 MolecularWeight: 211.60184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H6ClNO3/c1-14-9(13)7-3-2-6(10)4-8(7)11-5-12/h2-4H,1H3