3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxidanylidene-propanenitrile

Systemtic Name: 3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxidanylidene-propanenitrile Openeye Name: 3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxo-propanenitrile CAS Name: 3-[4-(4-nitrophenyl)-1-piperazinyl]-3-oxopropanenitrile IUPAC Name: 3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxopropanenitrile Traditional Name: 3-keto-3-[4-(4-nitrophenyl)piperazino]propionitrile Formula: C13H14N4O3 MolecularWeight: 274.27526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O3/c14-6-5-13(18)16-9-7-15(8-10-16)11-1-3-12(4-2-11)17(19)20/h1-4H,5,7-10H2