2-[4-(2-hydroxyphenyl)piperazin-1-yl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-5-nitro-benzonitrile CAS Name: 2-[4-(2-hydroxyphenyl)-1-piperazinyl]-5-nitrobenzonitrile IUPAC Name: 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-5-nitrobenzonitrile Traditional Name: 2-[4-(2-hydroxyphenyl)piperazino]-5-nitro-benzonitrile Formula: C17H16N4O3 MolecularWeight: 324.33394

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])C#N)C3=CC=CC=C3O

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])C#N)C3=CC=CC=C3O

InChI

InChI=1S/C17H16N4O3/c18-12-13-11-14(21(23)24)5-6-15(13)19-7-9-20(10-8-19)16-3-1-2-4-17(16)22/h1-6,11,22H,7-10H2