(2-methyl-1-oxidanylidene-1-prop-2-enoxy-propan-2-yl) 2-chloranyl-5-isocyanato-benzoate

Systemtic Name: (2-methyl-1-oxidanylidene-1-prop-2-enoxy-propan-2-yl) 2-chloranyl-5-isocyanato-benzoate Openeye Name: (2-allyloxy-1,1-dimethyl-2-oxo-ethyl) 2-chloro-5-isocyanato-benzoate CAS Name: 2-chloro-5-isocyanatobenzoic acid (2-methyl-1-oxo-1-prop-2-enoxypropan-2-yl) ester IUPAC Name: (2-methyl-1-oxo-1-prop-2-enoxypropan-2-yl) 2-chloro-5-isocyanatobenzoate Traditional Name: 2-chloro-5-isocyanato-benzoic acid (2-allyloxy-2-keto-1,1-dimethyl-ethyl) ester Formula: C15H14ClNO5 MolecularWeight: 323.72836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14ClNO5/c1-4-7-21-14(20)15(2,3)22-13(19)11-8-10(17-9-18)5-6-12(11)16/h4-6,8H,1,7H2,2-3H3