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

Systemtic Name: 4-[4-(hydroxymethyl)-2-nitro-phenoxy]benzenecarbonitrile Openeye Name: 4-[4-(hydroxymethyl)-2-nitro-phenoxy]benzonitrile CAS Name: 4-[4-(hydroxymethyl)-2-nitrophenoxy]benzonitrile IUPAC Name: 4-[4-(hydroxymethyl)-2-nitrophenoxy]benzonitrile Traditional Name: 4-(4-methylol-2-nitro-phenoxy)benzonitrile Formula: C14H10N2O4 MolecularWeight: 270.2402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)OC2=C(C=C(C=C2)CO)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C#N)OC2=C(C=C(C=C2)CO)[N+](=O)[O-]

InChI

InChI=1S/C14H10N2O4/c15-8-10-1-4-12(5-2-10)20-14-6-3-11(9-17)7-13(14)16(18)19/h1-7,17H,9H2