2-[4-[2-(hydroxymethyl)-4-nitro-phenoxy]phenyl]ethanenitrile

Systemtic Name: 2-[4-[2-(hydroxymethyl)-4-nitro-phenoxy]phenyl]ethanenitrile Openeye Name: 2-[4-[2-(hydroxymethyl)-4-nitro-phenoxy]phenyl]acetonitrile CAS Name: 2-[4-[2-(hydroxymethyl)-4-nitrophenoxy]phenyl]acetonitrile IUPAC Name: 2-[4-[2-(hydroxymethyl)-4-nitrophenoxy]phenyl]acetonitrile Traditional Name: 2-[4-(2-methylol-4-nitro-phenoxy)phenyl]acetonitrile Formula: C15H12N2O4 MolecularWeight: 284.26678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#N)OC2=C(C=C(C=C2)[N+](=O)[O-])CO

Isomeric SMILES

C1=CC(=CC=C1CC#N)OC2=C(C=C(C=C2)[N+](=O)[O-])CO

InChI

InChI=1S/C15H12N2O4/c16-8-7-11-1-4-14(5-2-11)21-15-6-3-13(17(19)20)9-12(15)10-18/h1-6,9,18H,7,10H2