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

Systemtic Name: methyl 6-chloranyl-3-isocyanato-2-methyl-benzoate Openeye Name: methyl 6-chloro-3-isocyanato-2-methyl-benzoate CAS Name: 6-chloro-3-isocyanato-2-methylbenzoic acid methyl ester IUPAC Name: methyl 6-chloro-3-isocyanato-2-methylbenzoate Traditional Name: 6-chloro-3-isocyanato-2-methyl-benzoic acid methyl ester Formula: C10H8ClNO3 MolecularWeight: 225.62842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C(=O)OC)Cl)N=C=O

Isomeric SMILES

CC1=C(C=CC(=C1C(=O)OC)Cl)N=C=O

InChI

InChI=1S/C10H8ClNO3/c1-6-8(12-5-13)4-3-7(11)9(6)10(14)15-2/h3-4H,1-2H3