methyl 2-chloranyl-4-isocyanato-benzoate

Systemtic Name: methyl 2-chloranyl-4-isocyanato-benzoate Openeye Name: methyl 2-chloro-4-isocyanato-benzoate CAS Name: 2-chloro-4-isocyanatobenzoic acid methyl ester IUPAC Name: methyl 2-chloro-4-isocyanatobenzoate Traditional Name: 2-chloro-4-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)N=C=O)Cl

Isomeric SMILES

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

InChI

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