4-[4-(hydroxymethyl)-2-nitro-phenoxy]butanenitrile

Systemtic Name: 4-[4-(hydroxymethyl)-2-nitro-phenoxy]butanenitrile Openeye Name: 4-[4-(hydroxymethyl)-2-nitro-phenoxy]butanenitrile CAS Name: 4-[4-(hydroxymethyl)-2-nitrophenoxy]butanenitrile IUPAC Name: 4-[4-(hydroxymethyl)-2-nitrophenoxy]butanenitrile Traditional Name: 4-(4-methylol-2-nitro-phenoxy)butyronitrile Formula: C11H12N2O4 MolecularWeight: 236.22398

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CO)[N+](=O)[O-])OCCCC#N

Isomeric SMILES

C1=CC(=C(C=C1CO)[N+](=O)[O-])OCCCC#N

InChI

InChI=1S/C11H12N2O4/c12-5-1-2-6-17-11-4-3-9(8-14)7-10(11)13(15)16/h3-4,7,14H,1-2,6,8H2