5-nitro-2-(3-oxidanylphenoxy)benzenecarbonitrile

Systemtic Name: 5-nitro-2-(3-oxidanylphenoxy)benzenecarbonitrile Openeye Name: 2-(3-hydroxyphenoxy)-5-nitro-benzonitrile CAS Name: 2-(3-hydroxyphenoxy)-5-nitrobenzonitrile IUPAC Name: 2-(3-hydroxyphenoxy)-5-nitrobenzonitrile Traditional Name: 2-(3-hydroxyphenoxy)-5-nitro-benzonitrile Formula: C13H8N2O4 MolecularWeight: 256.21362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H8N2O4/c14-8-9-6-10(15(17)18)4-5-13(9)19-12-3-1-2-11(16)7-12/h1-7,16H