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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC2=C(C=C(C=C2)CO)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC(=CC=C1COC2=C(C=C(C=C2)CO)[N+](=O)[O-])C#N

InChI

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