4-[4-(chloromethyl)-2-methoxy-5-nitro-phenoxy]butanenitrile

Systemtic Name: 4-[4-(chloromethyl)-2-methoxy-5-nitro-phenoxy]butanenitrile Openeye Name: 4-[4-(chloromethyl)-2-methoxy-5-nitro-phenoxy]butanenitrile CAS Name: 4-[4-(chloromethyl)-2-methoxy-5-nitrophenoxy]butanenitrile IUPAC Name: 4-[4-(chloromethyl)-2-methoxy-5-nitrophenoxy]butanenitrile Traditional Name: 4-[4-(chloromethyl)-2-methoxy-5-nitro-phenoxy]butyronitrile Formula: C12H13ClN2O4 MolecularWeight: 284.69562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCl)[N+](=O)[O-])OCCCC#N

Isomeric SMILES

COC1=C(C=C(C(=C1)CCl)[N+](=O)[O-])OCCCC#N

InChI

InChI=1S/C12H13ClN2O4/c1-18-11-6-9(8-13)10(15(16)17)7-12(11)19-5-3-2-4-14/h6-7H,2-3,5,8H2,1H3