2-[4-(3-hydroxyphenyl)piperazin-1-yl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[4-(3-hydroxyphenyl)piperazin-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[4-(3-hydroxyphenyl)piperazin-1-yl]-5-nitro-benzonitrile CAS Name: 2-[4-(3-hydroxyphenyl)-1-piperazinyl]-5-nitrobenzonitrile IUPAC Name: 2-[4-(3-hydroxyphenyl)piperazin-1-yl]-5-nitrobenzonitrile Traditional Name: 2-[4-(3-hydroxyphenyl)piperazino]-5-nitro-benzonitrile Formula: C17H16N4O3 MolecularWeight: 324.33394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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