4-[2-chloranyl-4-isocyanato-6-(methoxymethyl)phenoxy]butanenitrile

Systemtic Name: 4-[2-chloranyl-4-isocyanato-6-(methoxymethyl)phenoxy]butanenitrile Openeye Name: 4-[2-chloro-4-isocyanato-6-(methoxymethyl)phenoxy]butanenitrile CAS Name: 4-[2-chloro-4-isocyanato-6-(methoxymethyl)phenoxy]butanenitrile IUPAC Name: 4-[2-chloro-4-isocyanato-6-(methoxymethyl)phenoxy]butanenitrile Traditional Name: 4-[2-chloro-4-isocyanato-6-(methoxymethyl)phenoxy]butyronitrile Formula: C13H13ClN2O3 MolecularWeight: 280.70692

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC(=CC(=C1OCCCC#N)Cl)N=C=O

Isomeric SMILES

COCC1=CC(=CC(=C1OCCCC#N)Cl)N=C=O

InChI

InChI=1S/C13H13ClN2O3/c1-18-8-10-6-11(16-9-17)7-12(14)13(10)19-5-3-2-4-15/h6-7H,2-3,5,8H2,1H3