4-[2-(4-cyanophenyl)-2-oxidanyl-ethyl]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[2-(4-cyanophenyl)-2-oxidanyl-ethyl]-3-nitro-benzenecarbonitrile Openeye Name: 4-[2-(4-cyanophenyl)-2-hydroxy-ethyl]-3-nitro-benzonitrile CAS Name: 4-[2-(4-cyanophenyl)-2-hydroxyethyl]-3-nitrobenzonitrile IUPAC Name: 4-[2-(4-cyanophenyl)-2-hydroxyethyl]-3-nitrobenzonitrile Traditional Name: 4-[2-(4-cyanophenyl)-2-hydroxy-ethyl]-3-nitro-benzonitrile Formula: C16H11N3O3 MolecularWeight: 293.27684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(CC2=C(C=C(C=C2)C#N)[N+](=O)[O-])O

Isomeric SMILES

C1=CC(=CC=C1C#N)C(CC2=C(C=C(C=C2)C#N)[N+](=O)[O-])O

InChI

InChI=1S/C16H11N3O3/c17-9-11-1-4-13(5-2-11)16(20)8-14-6-3-12(10-18)7-15(14)19(21)22/h1-7,16,20H,8H2