2-methylbutan-2-yl 2-chloranyl-4-isocyanato-benzoate

Systemtic Name: 2-methylbutan-2-yl 2-chloranyl-4-isocyanato-benzoate Openeye Name: 1,1-dimethylpropyl 2-chloro-4-isocyanato-benzoate CAS Name: 2-chloro-4-isocyanatobenzoic acid 2-methylbutan-2-yl ester IUPAC Name: 2-methylbutan-2-yl 2-chloro-4-isocyanatobenzoate Traditional Name: 2-chloro-4-isocyanato-benzoic acid tert-amyl ester Formula: C13H14ClNO3 MolecularWeight: 267.70816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14ClNO3/c1-4-13(2,3)18-12(17)10-6-5-9(15-8-16)7-11(10)14/h5-7H,4H2,1-3H3