methyl 4-chloranyl-2-isocyano-benzoate

Systemtic Name: methyl 4-chloranyl-2-isocyano-benzoate Openeye Name: methyl 4-chloro-2-isocyano-benzoate CAS Name: 4-chloro-2-isocyanobenzoic acid methyl ester IUPAC Name: methyl 4-chloro-2-isocyanobenzoate Traditional Name: 4-chloro-2-isocyano-benzoic acid methyl ester Formula: C9H6ClNO2 MolecularWeight: 195.60244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H6ClNO2/c1-11-8-5-6(10)3-4-7(8)9(12)13-2/h3-5H,2H3