propan-2-yl 2-chloranyl-4-isocyanato-benzoate

Systemtic Name: propan-2-yl 2-chloranyl-4-isocyanato-benzoate Openeye Name: isopropyl 2-chloro-4-isocyanato-benzoate CAS Name: 2-chloro-4-isocyanatobenzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-chloro-4-isocyanatobenzoate Traditional Name: 2-chloro-4-isocyanato-benzoic acid isopropyl ester Formula: C11H10ClNO3 MolecularWeight: 239.655

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10ClNO3/c1-7(2)16-11(15)9-4-3-8(13-6-14)5-10(9)12/h3-5,7H,1-2H3