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

Systemtic Name: 3-[4-(hydroxymethyl)-2-nitro-phenoxy]benzenecarbonitrile Openeye Name: 3-[4-(hydroxymethyl)-2-nitro-phenoxy]benzonitrile CAS Name: 3-[4-(hydroxymethyl)-2-nitrophenoxy]benzonitrile IUPAC Name: 3-[4-(hydroxymethyl)-2-nitrophenoxy]benzonitrile Traditional Name: 3-(4-methylol-2-nitro-phenoxy)benzonitrile Formula: C14H10N2O4 MolecularWeight: 270.2402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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