tert-butyl 2-chloranyl-4-isocyanato-benzoate

Systemtic Name: tert-butyl 2-chloranyl-4-isocyanato-benzoate Openeye Name: tert-butyl 2-chloro-4-isocyanato-benzoate CAS Name: 2-chloro-4-isocyanatobenzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-chloro-4-isocyanatobenzoate Traditional Name: 2-chloro-4-isocyanato-benzoic acid tert-butyl ester Formula: C12H12ClNO3 MolecularWeight: 253.68158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12ClNO3/c1-12(2,3)17-11(16)9-5-4-8(14-7-15)6-10(9)13/h4-6H,1-3H3