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

Systemtic Name: (1-ethoxy-2-methyl-1-oxidanylidene-propan-2-yl) 2-chloranyl-5-isocyanato-benzoate Openeye Name: (2-ethoxy-1,1-dimethyl-2-oxo-ethyl) 2-chloro-5-isocyanato-benzoate CAS Name: 2-chloro-5-isocyanatobenzoic acid (1-ethoxy-2-methyl-1-oxopropan-2-yl) ester IUPAC Name: (1-ethoxy-2-methyl-1-oxopropan-2-yl) 2-chloro-5-isocyanatobenzoate Traditional Name: 2-chloro-5-isocyanato-benzoic acid (2-ethoxy-2-keto-1,1-dimethyl-ethyl) ester Formula: C14H14ClNO5 MolecularWeight: 311.71766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14ClNO5/c1-4-20-13(19)14(2,3)21-12(18)10-7-9(16-8-17)5-6-11(10)15/h5-7H,4H2,1-3H3