3-[[2-(hydroxymethyl)-4-nitro-phenoxy]methyl]benzenecarbonitrile

Systemtic Name: 3-[[2-(hydroxymethyl)-4-nitro-phenoxy]methyl]benzenecarbonitrile Openeye Name: 3-[[2-(hydroxymethyl)-4-nitro-phenoxy]methyl]benzonitrile CAS Name: 3-[[2-(hydroxymethyl)-4-nitrophenoxy]methyl]benzonitrile IUPAC Name: 3-[[2-(hydroxymethyl)-4-nitrophenoxy]methyl]benzonitrile Traditional Name: 3-[(2-methylol-4-nitro-phenoxy)methyl]benzonitrile Formula: C15H12N2O4 MolecularWeight: 284.26678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)COC2=C(C=C(C=C2)[N+](=O)[O-])CO)C#N

Isomeric SMILES

C1=CC(=CC(=C1)COC2=C(C=C(C=C2)[N+](=O)[O-])CO)C#N

InChI

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