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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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